Basic information
- CAS
921928-85-0- Standard SMILES
CC(C)(Br)C(=O)SCCc1ccccc1- InChIKey
VTLADFXDTCGBSL-UHFFFAOYSA-N- Molecular formula
- C12H15BrOS
- Average molar mass
- 287.22 g/mol
- Monoisotopic mass
- 286.0027
Names & identifiers
- Preferred name
- S-(2-Phenylethyl) 2-bromo-2-methylpropanethioate
- IUPAC
- S-(2-phenylethyl) 2-bromo-2-methylpropanethioate
Names & synonyms
S-(2-Phenylethyl) 2-bromo-2-methylpropanethioate921928-85-0DTXSID90841025
Database identifiers
- CAS
921928-85-0- PubChem CID
- 71421981
- DTXSID
DTXSID90841025
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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