Acetonitrile, [(4-bromophenyl)thio]-
Basic information
- CAS
50837-23-5- Standard SMILES
N#CCSc1ccc(Br)cc1- InChIKey
CLMNSXGIZPJEGD-UHFFFAOYSA-N- Molecular formula
- C8H6BrNS
- Average molar mass
- 228.11 g/mol
- Monoisotopic mass
- 226.94043
Names & identifiers
- Preferred name
- Acetonitrile, [(4-bromophenyl)thio]-
- IUPAC
- 2-(4-bromophenyl)sulfanylacetonitrile
Names & synonyms
50837-23-5Acetonitrile, [(4-bromophenyl)thio]-2-((4-Bromophenyl)thio)acetonitrile2-[(4-Bromophenyl)thio]acetonitrileMFCD039882072-(4-bromophenyl)sulfanylacetonitrileHMS1410A05Enamine_005637DTXSID10368643[(4-Bromophenyl)sulfanyl]acetonitrileAKOS008905492IDI1_007872
Show more names
SY393785Z18744575
Database identifiers
- CAS
50837-23-5- PubChem CID
- 2433166
- DTXSID
DTXSID10368643
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 155
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Compound notes
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