Basic information
- CAS
109619-20-7- Standard SMILES
N#C/C(=C\c1cccnc1)C(N)=S- InChIKey
PNSDADFWVJVLIG-XBXARRHUSA-N- Molecular formula
- C9H7N3S
- Average molar mass
- 189.24 g/mol
- Monoisotopic mass
- 189.03606841
Names & identifiers
- Preferred name
- 2-Cyano-3-pyridin-3-yl-thioacrylamide
- IUPAC
- (E)-2-cyano-3-pyridin-3-ylprop-2-enethioamide
Names & synonyms
2-Cyano-3-pyridin-3-yl-thioacrylamide109628-96-8(E)-2-cyano-3-pyridin-3-ylprop-2-enethioamide(2e)-2-cyano-3-pyridin-3-ylprop-2-enethioamide(2E)-2-(aminothioxomethyl)-3-(3-pyridyl)prop-2-enenitrileNSC275410HMS1669B20CCG-48614AKOS003237972NSC-275410ST020831(E)-2-cyano-3-(3-pyridyl)prop-2-enethioamide
Show more names
SR-01000638141-1
Database identifiers
- CAS
109619-20-7- PubChem CID
- 679355
- EC Number
- 153-096-2
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…