S-Benzoyl-3-mercapto-2-methylpropanoyl chloride
TL;DR: S-Benzoyl-3-mercapto-2-methylpropanoyl chloride (CAS 74654-91-4) is a chemical compound with molecular formula C11H11ClO2S and molecular weight 242.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(2R)-3-chloro-2-methyl-3-oxopropyl] benzenecarbothioate
Also Known As: S-Bmmpc, S-Benzoyl-3-mercapto-2-methylpropanoyl chloride, S-[(2R)-3-chloro-2-methyl-3-oxopropyl] benzenecarbothioate, 3-benzoylthio-2(R)-methylpropionyl chloride, (R)-3-Chloro-2-methyl-3-oxopropane-1-thiol benzoate
| Molecular Formula | C11H11ClO2S |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.01683 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 74654-91-4 |
|---|---|
| SMILES | C[C@H](CSC(=O)C1=CC=CC=C1)C(=O)Cl |
| InChIKey | MJZHAVYNYFDSMZ-MRVPVSSYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-Benzoyl-3-mercapto-2-methylpropanoyl chloride (CAS 74654-91-4), with molecular formula C11H11ClO2S and molecular weight 242.02 g/mol. IUPAC: S-[(2R)-3-chloro-2-methyl-3-oxopropyl] benzenecarbothioate.
Chemical Property Profile of S-Benzoyl-3-mercapto-2-methylpropanoyl chloride
Property Insights of S-Benzoyl-3-mercapto-2-methylpropanoyl chloride
The XLogP value of 3.4 indicates that S-Benzoyl-3-mercapto-2-methylpropanoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.4 Ų, S-Benzoyl-3-mercapto-2-methylpropanoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-Benzoyl-3-mercapto-2-methylpropanoyl chloride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-Benzoyl-3-mercapto-2-methylpropanoyl chloride?
The CAS number of S-Benzoyl-3-mercapto-2-methylpropanoyl chloride is 74654-91-4.
What is the molecular formula of S-Benzoyl-3-mercapto-2-methylpropanoyl chloride?
The molecular formula of S-Benzoyl-3-mercapto-2-methylpropanoyl chloride is C11H11ClO2S.
What is the molecular weight of S-Benzoyl-3-mercapto-2-methylpropanoyl chloride?
The molecular weight of S-Benzoyl-3-mercapto-2-methylpropanoyl chloride is 242.02 g/mol.
Where can I buy S-Benzoyl-3-mercapto-2-methylpropanoyl chloride?
You can request a quote for S-Benzoyl-3-mercapto-2-methylpropanoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Benzoyl-3-mercapto-2-methylpropanoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for S-Benzoyl-3-mercapto-2-methylpropanoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.