邻-氨基苯硫酚
TL;DR: 邻-氨基苯硫酚 (CAS 137-07-5) is a chemical compound with molecular formula C6H7NS and molecular weight 125.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻-氨基苯硫酚
2-aminobenzenethiol
Also Known As: 2-Aminothiophenol, 2-AMINOBENZENETHIOL, o-Aminothiophenol, 2-Mercaptoaniline, o-Mercaptoaniline
| Molecular Formula | C6H7NS |
|---|---|
| Molecular Weight | 125.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.02992 |
| Heavy Atoms | 8 |
| Complexity | 74.0 |
| Vapor Pressure | 0.02 [mmHg] |
Chemical Identifiers
| CAS Number | 137-07-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N)S |
| InChIKey | VRVRGVPWCUEOGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻-氨基苯硫酚 (CAS 137-07-5), with molecular formula C6H7NS and molecular weight 125.03 g/mol. IUPAC: 2-aminobenzenethiol.
Chemical Property Profile of 邻-氨基苯硫酚
Property Insights of 邻-氨基苯硫酚
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻-氨基苯硫酚. With a topological polar surface area (TPSA) of 27.0 Ų, 邻-氨基苯硫酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻-氨基苯硫酚 has 2 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 邻-氨基苯硫酚?
The CAS number of 邻-氨基苯硫酚 is 137-07-5.
What is the molecular formula of 邻-氨基苯硫酚?
The molecular formula of 邻-氨基苯硫酚 is C6H7NS.
What is the molecular weight of 邻-氨基苯硫酚?
The molecular weight of 邻-氨基苯硫酚 is 125.03 g/mol.
Where can I buy 邻-氨基苯硫酚?
You can request a quote for 邻-氨基苯硫酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻-氨基苯硫酚?
Yes, KEHONG BIO provides custom synthesis services for 邻-氨基苯硫酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.