2-(苯硫基)苯甲酸
TL;DR: 2-(苯硫基)苯甲酸 (CAS 1527-12-4) is a chemical compound with molecular formula C13H10O2S and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(苯硫基)苯甲酸
2-phenylsulfanylbenzoic acid
Also Known As: 2-(Phenylthio)benzoic acid, 2-phenylsulfanylbenzoic acid, 2-Carboxydiphenyl sulfide, Benzoic acid, 2-(phenylthio)-, 2-(phenylthio)benzoicacid
| Molecular Formula | C13H10O2S |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.04015 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 1527-12-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=CC=C2C(=O)O |
| InChIKey | PMLBXJKQYSENQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(苯硫基)苯甲酸 (CAS 1527-12-4), with molecular formula C13H10O2S and molecular weight 230.04 g/mol. IUPAC: 2-phenylsulfanylbenzoic acid.
Chemical Property Profile of 2-(苯硫基)苯甲酸
Property Insights of 2-(苯硫基)苯甲酸
The XLogP value of 3.5 indicates that 2-(苯硫基)苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(苯硫基)苯甲酸. Following Lipinski's Rule of Five, 2-(苯硫基)苯甲酸 has 1 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 2-(苯硫基)苯甲酸?
The CAS number of 2-(苯硫基)苯甲酸 is 1527-12-4.
What is the molecular formula of 2-(苯硫基)苯甲酸?
The molecular formula of 2-(苯硫基)苯甲酸 is C13H10O2S.
What is the molecular weight of 2-(苯硫基)苯甲酸?
The molecular weight of 2-(苯硫基)苯甲酸 is 230.04 g/mol.
Where can I buy 2-(苯硫基)苯甲酸?
You can request a quote for 2-(苯硫基)苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(苯硫基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(苯硫基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.