2-Propenethioamide, 2-cyano-3-(phenylamino)-
Basic information
- CAS
100781-94-0- Standard SMILES
N#CC(=CNc1ccccc1)C(N)=S- InChIKey
GJYKMQRTLXCKRQ-UHFFFAOYSA-N- Molecular formula
- C10H9N3S
- Average molar mass
- 203.27 g/mol
- Monoisotopic mass
- 203.05171847
Names & identifiers
- Preferred name
- 2-Propenethioamide, 2-cyano-3-(phenylamino)-
- IUPAC
- 3-anilino-2-cyanoprop-2-enethioamide
Names & synonyms
100781-94-03-anilino-2-cyanoprop-2-enethioamide2-Propenethioamide, 2-cyano-3-(phenylamino)-DTXSID90392062
Database identifiers
- CAS
100781-94-0- PubChem CID
- 3390844
- DTXSID
DTXSID90392062
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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