4-(甲硫基)苯甲酸
TL;DR: 4-(甲硫基)苯甲酸 (CAS 13205-48-6) is a chemical compound with molecular formula C8H8O2S and molecular weight 168.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(甲硫基)苯甲酸
4-methylsulfanylbenzoic acid
Also Known As: 4-(Methylthio)benzoic acid, Benzoic acid, 4-(methylthio)-, 4-methylsulfanylbenzoic acid, 4-(Methylsulfanyl)benzoic acid, 4-Methylthio benzoic acid
| Molecular Formula | C8H8O2S |
|---|---|
| Molecular Weight | 168.02 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.0245 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 13205-48-6 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C(=O)O |
| InChIKey | KWHCPERWLHBLOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(甲硫基)苯甲酸 (CAS 13205-48-6), with molecular formula C8H8O2S and molecular weight 168.02 g/mol. IUPAC: 4-methylsulfanylbenzoic acid.
Chemical Property Profile of 4-(甲硫基)苯甲酸
Property Insights of 4-(甲硫基)苯甲酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(甲硫基)苯甲酸. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(甲硫基)苯甲酸. Following Lipinski's Rule of Five, 4-(甲硫基)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 4-(甲硫基)苯甲酸?
The CAS number of 4-(甲硫基)苯甲酸 is 13205-48-6.
What is the molecular formula of 4-(甲硫基)苯甲酸?
The molecular formula of 4-(甲硫基)苯甲酸 is C8H8O2S.
What is the molecular weight of 4-(甲硫基)苯甲酸?
The molecular weight of 4-(甲硫基)苯甲酸 is 168.02 g/mol.
Where can I buy 4-(甲硫基)苯甲酸?
You can request a quote for 4-(甲硫基)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 4-(甲硫基)苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(甲硫基)苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.