硫代水杨酸
TL;DR: 硫代水杨酸 (CAS 147-93-3) is a chemical compound with molecular formula C7H6O2S and molecular weight 154.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代水杨酸
2-sulfanylbenzoic acid
Also Known As: Thiosalicylic acid, 2-Mercaptobenzoic acid, 2-Sulfanylbenzoic acid, o-Mercaptobenzoic acid, 2-Thiosalicylic acid
| Molecular Formula | C7H6O2S |
|---|---|
| Molecular Weight | 154.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.00885 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
| Melting Point | 168-169 °C |
| Solubility | SOL IN WATER /SODIUM SALT/ |
Chemical Identifiers
| CAS Number | 147-93-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)S |
| InChIKey | NBOMNTLFRHMDEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫代水杨酸 (CAS 147-93-3), with molecular formula C7H6O2S and molecular weight 154.01 g/mol. IUPAC: 2-sulfanylbenzoic acid.
Chemical Property Profile of 硫代水杨酸
Property Insights of 硫代水杨酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫代水杨酸. With a topological polar surface area (TPSA) of 38.3 Ų, 硫代水杨酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代水杨酸 has 2 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 硫代水杨酸?
The CAS number of 硫代水杨酸 is 147-93-3.
What is the molecular formula of 硫代水杨酸?
The molecular formula of 硫代水杨酸 is C7H6O2S.
What is the molecular weight of 硫代水杨酸?
The molecular weight of 硫代水杨酸 is 154.01 g/mol.
Where can I buy 硫代水杨酸?
You can request a quote for 硫代水杨酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代水杨酸?
Yes, KEHONG BIO provides custom synthesis services for 硫代水杨酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.