Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester
TL;DR: Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester (CAS 77750-06-2) is a chemical compound with molecular formula C14H11ClOS and molecular weight 262.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-methylphenyl) 4-chlorobenzenecarbothioate
Also Known As: 4-chloro-thiobenzoic acid S-p-tolyl ester, S-(4-methylphenyl) 4-chlorobenzenecarbothioate, 4-Chlorothiobenzoic acid S-(p-tolyl) ester, Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester, 4-Chlorothiobenzoic acid S-(4-methylphenyl) ester
| Molecular Formula | C14H11ClOS |
|---|---|
| Molecular Weight | 262.02 g/mol |
| LogP | 4.58092 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.0219 |
| Heavy Atoms | 17 |
| Complexity | 516.9234 |
Chemical Identifiers
| CAS Number | 77750-06-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)Cl |
Product Overview
Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester (CAS 77750-06-2), with molecular formula C14H11ClOS and molecular weight 262.02 g/mol. IUPAC: S-(4-methylphenyl) 4-chlorobenzenecarbothioate.
Chemical Property Profile of Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester
Property Insights of Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester
The XLogP value of 4.58092 indicates that Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester 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 Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester?
The CAS number of Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester is 77750-06-2.
What is the molecular formula of Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester?
The molecular formula of Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester is C14H11ClOS.
What is the molecular weight of Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester?
The molecular weight of Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester is 262.02 g/mol.
Where can I buy Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester?
You can request a quote for Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioic acid, 4-chloro-, S-(4-methylphenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.