2-Propenamide, 2-cyano-3,3-dimercapto-
Basic information
- CAS
118373-67-4- Standard SMILES
N#CC(C(N)=O)=C(S)S- InChIKey
YVEPZNRRZJMFLR-UHFFFAOYSA-N- Molecular formula
- C4H4N2OS2
- Average molar mass
- 160.2 g/mol
- Monoisotopic mass
- 159.9765051
Names & identifiers
- Preferred name
- 2-Propenamide, 2-cyano-3,3-dimercapto-
- IUPAC
- 2-cyano-3,3-bis(sulfanyl)prop-2-enamide
Names & synonyms
2-Propenamide, 2-cyano-3,3-dimercapto-2-cyano-3,3-bis(sulfanyl)prop-2-enamide118373-67-4SCHEMBL31921383,3-Dimercapto-2-cyanacrylamidDTXSID7027475126271-47-6DB-273460ACRYLIC ACID, 3-AMINO-2-CYANO-3-HYDROXYDITHIO-
Database identifiers
- CAS
118373-67-4- PubChem CID
- 23762
- DTXSID
DTXSID70274751- Nikkaji
- J1.417.327G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 208
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Related reactions
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Compound notes
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