(2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile
Basic information
- CAS
1663470-31-2- Standard SMILES
N#C/C(=C\c1ccc(Br)s1)C(N)=S- InChIKey
FTABXKRCXDQGJP-HWKANZROSA-N- Molecular formula
- C8H5BrN2S2
- Average molar mass
- 273.2 g/mol
- Monoisotopic mass
- 271.90775
Names & identifiers
- Preferred name
- (2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrile
- IUPAC
- (E)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enethioamide
Names & synonyms
(2E)-2-(aminothioxomethyl)-3-(5-bromo(2-thienyl))prop-2-enenitrileSCHEMBL16532973DTXSID301212075AKOS0032453001663470-31-2ST020048(2E)-3-(5-Bromo-2-thienyl)-2-cyano-2-propenethioamide(2E)-3-(5-BROMOTHIOPHEN-2-YL)-2-CYANOPROP-2-ENETHIOAMIDE
Database identifiers
- CAS
1663470-31-2- PubChem CID
- 678541
- DTXSID
DTXSID301212075
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 292
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Compound notes
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