2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-
Basic information
- CAS
95639-00-2- Standard SMILES
N#CC(=Cc1ccc(Br)cc1)C(N)=S- InChIKey
JOJTVFIVYQYWGX-UHFFFAOYSA-N- Molecular formula
- C10H7BrN2S
- Average molar mass
- 267.15 g/mol
- Monoisotopic mass
- 265.95133
Names & identifiers
- Preferred name
- 2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-
- IUPAC
- 3-(4-bromophenyl)-2-cyanoprop-2-enethioamide
Names & synonyms
2-Propenethioamide, 3-(4-bromophenyl)-2-cyano-95639-00-23-(4-bromophenyl)-2-cyanoprop-2-enethioamideSCHEMBL4879772DTXSID60411572
Database identifiers
- CAS
95639-00-2- PubChem CID
- 5227938
- DTXSID
DTXSID60411572
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
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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