Basic information
- CAS
74654-91-4- Standard SMILES
C[C@H](CSC(=O)c1ccccc1)C(=O)Cl- InChIKey
MJZHAVYNYFDSMZ-MRVPVSSYSA-N- Molecular formula
- C11H11ClO2S
- Average molar mass
- 242.72 g/mol
- Monoisotopic mass
- 242.0168285
Names & identifiers
- Preferred name
- S-Benzoyl-3-mercapto-2-methylpropanoyl chloride
- IUPAC
- S-[(2R)-3-chloro-2-methyl-3-oxopropyl] benzenecarbothioate
- English name
- S-benzoyl-3-mercapto-2-methylpropanoyl chloride
- Molecular weight
- 0
Names & synonyms
S-Benzoyl-3-mercapto-2-methylpropanoyl chlorideS-Bmmpc74654-91-4RefChem:180635S-[(2R)-3-chloro-2-methyl-3-oxopropyl] benzenecarbothioateSCHEMBL7898278DTXSID40996170MJZHAVYNYFDSMZ-MRVPVSSYSA-N3-benzoylthio-2(R)-methylpropionyl chlorideS-(3-Chloro-2-methyl-3-oxopropyl) benzenecarbothioateBenzenecarbothioic acid S-[3-chloro-2(R)-methyl-3-oxopropyl] ester
Database identifiers
- CAS
74654-91-4- PubChem CID
- 194598
- DTXSID
DTXSID40996170- Nikkaji
- J313.687F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
山东子易医药有限公司13173053288 · [email protected]
Related reactions
1 records
Compound notes
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