邻硝基苯硫醇
TL;DR: 邻硝基苯硫醇 (CAS 4875-10-9) is a chemical compound with molecular formula C6H5NO2S and molecular weight 155.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻硝基苯硫醇
2-nitrobenzenethiol
Also Known As: 2-Nitrothiophenol, 2-NITROBENZENETHIOL, o-Nitrobenzenethiol, nitrothiophenol, 2-nitrobenzene-1-thiol
| Molecular Formula | C6H5NO2S |
|---|---|
| Molecular Weight | 155.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.0041 |
| Heavy Atoms | 10 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 4875-10-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])S |
| InChIKey | JKIFPWHZEZQCQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻硝基苯硫醇 (CAS 4875-10-9), with molecular formula C6H5NO2S and molecular weight 155.00 g/mol. IUPAC: 2-nitrobenzenethiol.
Chemical Property Profile of 邻硝基苯硫醇
Property Insights of 邻硝基苯硫醇
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻硝基苯硫醇. With a topological polar surface area (TPSA) of 46.8 Ų, 邻硝基苯硫醇 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻硝基苯硫醇 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 邻硝基苯硫醇?
The CAS number of 邻硝基苯硫醇 is 4875-10-9.
What is the molecular formula of 邻硝基苯硫醇?
The molecular formula of 邻硝基苯硫醇 is C6H5NO2S.
What is the molecular weight of 邻硝基苯硫醇?
The molecular weight of 邻硝基苯硫醇 is 155.00 g/mol.
Where can I buy 邻硝基苯硫醇?
You can request a quote for 邻硝基苯硫醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻硝基苯硫醇?
Yes, KEHONG BIO provides custom synthesis services for 邻硝基苯硫醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.