Thiobenzoic Acid
TL;DR: Thiobenzoic Acid (CAS 98-91-9) is a chemical compound with molecular formula C7H6OS and molecular weight 138.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzenecarbothioic S-acid
Also Known As: Thiobenzoic acid, Benzenecarbothioic acid, Benzoyl thiol, Benzenecarbothioic S-acid, Monothiobenzoic acid
| Molecular Formula | C7H6OS |
|---|---|
| Molecular Weight | 138.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.01393 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 98-91-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)S |
| InChIKey | UIJGNTRUPZPVNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thiobenzoic Acid (CAS 98-91-9), with molecular formula C7H6OS and molecular weight 138.01 g/mol. IUPAC: benzenecarbothioic S-acid.
Chemical Property Profile of Thiobenzoic Acid
Property Insights of Thiobenzoic Acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiobenzoic Acid. With a topological polar surface area (TPSA) of 18.1 Ų, Thiobenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiobenzoic Acid has 1 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 Thiobenzoic Acid?
The CAS number of Thiobenzoic Acid is 98-91-9.
What is the molecular formula of Thiobenzoic Acid?
The molecular formula of Thiobenzoic Acid is C7H6OS.
What is the molecular weight of Thiobenzoic Acid?
The molecular weight of Thiobenzoic Acid is 138.01 g/mol.
Where can I buy Thiobenzoic Acid?
You can request a quote for Thiobenzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiobenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for Thiobenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.