S-(4-chlorophenyl) benzenecarbothioate
TL;DR: S-(4-chlorophenyl) benzenecarbothioate (CAS 4906-35-8) is a chemical compound with molecular formula C13H9ClOS and molecular weight 248.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-chlorophenyl) benzenecarbothioate
Also Known As: S-(4-chlorophenyl) benzenecarbothioate, 4-Chlorophenyl thiobenzoate, 4-chlorophenylthio phenyl ketone, 4-Chloro-1-(benzoylthio)benzene, thiobenzoic acid S-(4-chlorophenyl) ester
| Molecular Formula | C13H9ClOS |
|---|---|
| Molecular Weight | 248.01 g/mol |
| LogP | 4.2725 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.00627 |
| Heavy Atoms | 16 |
| Complexity | 479.0456 |
Chemical Identifiers
| CAS Number | 4906-35-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)Cl |
Product Overview
S-(4-chlorophenyl) benzenecarbothioate (CAS 4906-35-8), with molecular formula C13H9ClOS and molecular weight 248.01 g/mol. IUPAC: S-(4-chlorophenyl) benzenecarbothioate.
Chemical Property Profile of S-(4-chlorophenyl) benzenecarbothioate
Property Insights of S-(4-chlorophenyl) benzenecarbothioate
The XLogP value of 4.2725 indicates that S-(4-chlorophenyl) benzenecarbothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, S-(4-chlorophenyl) benzenecarbothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(4-chlorophenyl) benzenecarbothioate has 0 hydrogen bond donor(s) and 2 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-(4-chlorophenyl) benzenecarbothioate?
The CAS number of S-(4-chlorophenyl) benzenecarbothioate is 4906-35-8.
What is the molecular formula of S-(4-chlorophenyl) benzenecarbothioate?
The molecular formula of S-(4-chlorophenyl) benzenecarbothioate is C13H9ClOS.
What is the molecular weight of S-(4-chlorophenyl) benzenecarbothioate?
The molecular weight of S-(4-chlorophenyl) benzenecarbothioate is 248.01 g/mol.
Where can I buy S-(4-chlorophenyl) benzenecarbothioate?
You can request a quote for S-(4-chlorophenyl) benzenecarbothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-chlorophenyl) benzenecarbothioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-chlorophenyl) benzenecarbothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.