Benzenecarbothioic acid, S-phenyl ester
TL;DR: Benzenecarbothioic acid, S-phenyl ester (CAS 884-09-3) is a chemical compound with molecular formula C13H10OS and molecular weight 214.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl benzenecarbothioate
Also Known As: S-phenyl benzenecarbothioate, S-Phenyl thiobenzoate, S-Phenyl benzothioate, Benzenecarbothioic acid, S-phenyl ester, phenyl phenylthio ketone
| Molecular Formula | C13H10OS |
|---|---|
| Molecular Weight | 214.05 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.04524 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 884-09-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)SC2=CC=CC=C2 |
| InChIKey | VCQYDZJGTXAFRL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenecarbothioic acid, S-phenyl ester (CAS 884-09-3), with molecular formula C13H10OS and molecular weight 214.05 g/mol. IUPAC: S-phenyl benzenecarbothioate.
Chemical Property Profile of Benzenecarbothioic acid, S-phenyl ester
Property Insights of Benzenecarbothioic acid, S-phenyl ester
The XLogP value of 3.9 indicates that Benzenecarbothioic acid, S-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, Benzenecarbothioic acid, S-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioic acid, S-phenyl 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, S-phenyl ester?
The CAS number of Benzenecarbothioic acid, S-phenyl ester is 884-09-3.
What is the molecular formula of Benzenecarbothioic acid, S-phenyl ester?
The molecular formula of Benzenecarbothioic acid, S-phenyl ester is C13H10OS.
What is the molecular weight of Benzenecarbothioic acid, S-phenyl ester?
The molecular weight of Benzenecarbothioic acid, S-phenyl ester is 214.05 g/mol.
Where can I buy Benzenecarbothioic acid, S-phenyl ester?
You can request a quote for Benzenecarbothioic acid, S-phenyl 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, S-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioic acid, S-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.