2-Cyano-3,3-bis(methylsulfanyl)prop-2-enethioamide
Basic information
- CAS
24571-57-1- Standard SMILES
CSC(SC)=C(C#N)C(N)=S- InChIKey
HNTXYZSTHBEZFG-UHFFFAOYSA-N- Molecular formula
- C6H8N2S3
- Average molar mass
- 204.3 g/mol
- Monoisotopic mass
- 203.98496178
Names & identifiers
- Preferred name
- 2-Cyano-3,3-bis(methylsulfanyl)prop-2-enethioamide
- IUPAC
- 2-cyano-3,3-bis(methylsulfanyl)prop-2-enethioamide
Names & synonyms
2-cyano-3,3-bis(methylsulfanyl)prop-2-enethioamideNSC68761824571-57-12-Propenethioamide, 2-cyano-3,3-bis(methylthio)-DTXSID40388258NSC-687618
Database identifiers
- CAS
24571-57-1- PubChem CID
- 3003602
- DTXSID
DTXSID40388258- Nikkaji
- J900.246D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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