Basic information
- CAS
68029-41-4- Standard SMILES
N#C/C(=C\c1ccccc1Cl)C(N)=S- InChIKey
RARDDTIUBHMBEB-VMPITWQZSA-N- Molecular formula
- C10H7ClN2S
- Average molar mass
- 222.69 g/mol
- Monoisotopic mass
- 222.0018471
Names & identifiers
- Preferred name
- (E)-3-(2-chlorophenyl)-2-cyanoprop-2-enethioamide
- IUPAC
- (E)-3-(2-chlorophenyl)-2-cyanoprop-2-enethioamide
Names & synonyms
68029-41-4(E)-3-(2-chlorophenyl)-2-cyanoprop-2-enethioamide(2E)-3-(2-CHLOROPHENYL)-2-CYANOPROP-2-ENETHIOAMIDENSC272451AKOS023553165NSC-272451
Database identifiers
- CAS
68029-41-4- PubChem CID
- 5896876
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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