4-巯基苯甲酸
TL;DR: 4-巯基苯甲酸 (CAS 1074-36-8) 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.
4-巯基苯甲酸
4-sulfanylbenzoic acid
Also Known As: 4-Mercaptobenzoic acid, 4-Sulfanylbenzoic acid, 4-Mercaptobenzoate, 4-Thiobenzoic acid, null
| Molecular Formula | C7H6O2S |
|---|---|
| Molecular Weight | 154.01 g/mol |
| LogP | 2.3 |
| 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 | 128.0 |
Chemical Identifiers
| CAS Number | 1074-36-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)S |
| InChIKey | LMJXSOYPAOSIPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-巯基苯甲酸 (CAS 1074-36-8), with molecular formula C7H6O2S and molecular weight 154.01 g/mol. IUPAC: 4-sulfanylbenzoic acid.
Chemical Property Profile of 4-巯基苯甲酸
Property Insights of 4-巯基苯甲酸
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-巯基苯甲酸. With a topological polar surface area (TPSA) of 38.3 Ų, 4-巯基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-巯基苯甲酸 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 4-巯基苯甲酸?
The CAS number of 4-巯基苯甲酸 is 1074-36-8.
What is the molecular formula of 4-巯基苯甲酸?
The molecular formula of 4-巯基苯甲酸 is C7H6O2S.
What is the molecular weight of 4-巯基苯甲酸?
The molecular weight of 4-巯基苯甲酸 is 154.01 g/mol.
Where can I buy 4-巯基苯甲酸?
You can request a quote for 4-巯基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-巯基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-巯基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.