2-Propenethioamide, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-
Basic information
- CAS
95877-09-1- Standard SMILES
COc1cc(/C=C(\C#N)C(N)=S)ccc1O- InChIKey
QUNKDXWFLCLTPE-XBXARRHUSA-N- Molecular formula
- C11H10N2O2S
- Average molar mass
- 234.28 g/mol
- Monoisotopic mass
- 234.04629874
Names & identifiers
- Preferred name
- 2-Propenethioamide, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-
- IUPAC
- (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enethioamide
Names & synonyms
95877-09-12-Propenethioamide, 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenethioamide(E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enethioamideDTXSID40425410AKOS0011451023-amino-2-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-sulfanylprop-2-enenitrileSR-01000239138SR-01000239138-1(2e)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)thioacrylamide
Database identifiers
- CAS
95877-09-1- PubChem CID
- 885262
- DTXSID
DTXSID40425410
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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