Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester
Basic information
- CAS
13997-95-0- Standard SMILES
C=CCSC(=NC#N)SCC=C- InChIKey
ITZIFGHDBMXDGN-UHFFFAOYSA-N- Molecular formula
- C8H10N2S2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.02854067
Names & identifiers
- Preferred name
- Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester
- IUPAC
- bis(prop-2-enylsulfanyl)methylidenecyanamide
- English name
- [bis(prop-2-enylsulfanyl)methylideneamino]formonitrile
- Molecular formula
- C8H10N2S2
- Molecular weight
- 198.31
Names & synonyms
Carbonimidodithioic acid, cyano-, di-2-propenyl esterDTXSID0065690Carbonimidodithioic acid, N-cyano-, di-2-propen-1-yl esterRefChem:123616DTXCID303453313997-95-0bis(prop-2-enylsulfanyl)methylidenecyanamide[bis(prop-2-enylsulfanyl)methylideneamino]formonitrileSCHEMBL11189752ITZIFGHDBMXDGN-UHFFFAOYSA-NDi(prop-2-en-1-yl) cyanocarbonodithioimidateN-Cyanocarbonimidodithioic acid bis(2-propenyl) ester
Database identifiers
- CAS
13997-95-0- PubChem CID
- 84144
- DTXSID
DTXSID0065690- Nikkaji
- J421.904J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 86.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 210
Physicochemical properties
- EPA Substance Registry System
- -2 · Carbonimidodithioic acid, cyano-, di-2-propenyl ester (13997-95-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbonimidodithioic acid, N-cyano-, di-2-propen-1-yl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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