Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:11:30 UTC |
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Update date | 2019-11-26 03:10:49 UTC |
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Primary ID | FDB014836 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | [Ethylenebis(dithiocarbamato)]manganese |
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Description | Maneb belongs to the class of organic compounds known as ethylene bisdithiocarbamates. These are dithiocarbamic acids (or derivatives) resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine. In addition, compounds containing a 1,2-ethanediyl carbamodithioate moiety are also members of this class. Based on a literature review a significant number of articles have been published on Maneb. |
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CAS Number | 12427-38-2 |
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Structure | |
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Synonyms | Synonym | Source |
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Not Available | Not Available |
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Predicted Properties | |
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Chemical Formula | C4H6MnN2S4 |
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IUPAC name | manganese(2+) ion ({2-[(sulfanidylmethanethioyl)amino]ethyl}carbamothioyl)sulfanide |
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InChI Identifier | InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2 |
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InChI Key | YKSNLCVSTHTHJA-UHFFFAOYSA-L |
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Isomeric SMILES | [Mn++].[S-]C(=S)NCCNC([S-])=S |
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Average Molecular Weight | 265.302 |
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Monoisotopic Molecular Weight | 264.879430598 |
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Classification |
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Description | Belongs to the class of organic compounds known as ethylene bisdithiocarbamates. These are dithiocarbamic acids (or derivatives) resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine. In addition, compounds containing a 1,2-ethanediyl carbamodithioate moiety are also members of this class. |
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Kingdom | Organic compounds |
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Super Class | Organic acids and derivatives |
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Class | Dithiocarbamic acids and derivatives |
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Sub Class | Dithiocarbamic acid esters |
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Direct Parent | Ethylene bisdithiocarbamates |
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Alternative Parents | |
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Substituents | - Ethylene bisdithiocarbamate
- Metallobisdithiocarbamate
- Organic transition metal salt
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organic salt
- Organosulfur compound
- Organonitrogen compound
- Aliphatic acyclic compound
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Ontology |
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Ontology | No ontology term |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Not Available | |
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Physical Description | Not Available | |
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Mass Composition | C 18.11%; H 2.28%; Mn 20.71%; N 10.56%; S 48.35% | DFC |
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Melting Point | Mp 131° (dec.) | DFC |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Not Available |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-014i-0970000000-bd04192fb9297a02e9f6 | 2019-02-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-2910000000-87155ca8228855dbb478 | 2019-02-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0f89-8900000000-aa41ffdc6ce1ec6e6a67 | 2019-02-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0900000000-e438dbb8fe34bc162299 | 2019-02-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-0900000000-7687befd4089949ee9ee | 2019-02-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-05nf-9200000000-c1de1ffd0dcea15a2820 | 2019-02-23 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | C15231 |
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Pubchem Compound ID | 3032581 |
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Pubchem Substance ID | Not Available |
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ChEBI ID | 52497 |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | Not Available |
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CRC / DFC (Dictionary of Food Compounds) ID | JWP20-T:JWP20-T |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Descriptor | ID | Definition | Reference |
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neurotoxic | 50910 | A poison that interferes with the functions of the nervous system. | CHEBI |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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