4-硝基苯硫酚
TL;DR: 4-硝基苯硫酚 (CAS 1849-36-1) 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.
4-硝基苯硫酚
4-nitrobenzenethiol
Also Known As: 4-Nitrothiophenol, 4-Nitrobenzenethiol, p-Nitrothiophenol, Benzenethiol, 4-nitro-, 4-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 | 126.0 |
Chemical Identifiers
| CAS Number | 1849-36-1 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S |
| InChIKey | AXBVSRMHOPMXBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基苯硫酚 (CAS 1849-36-1), with molecular formula C6H5NO2S and molecular weight 155.00 g/mol. IUPAC: 4-nitrobenzenethiol.
Chemical Property Profile of 4-硝基苯硫酚
Property Insights of 4-硝基苯硫酚
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基苯硫酚. With a topological polar surface area (TPSA) of 46.8 Ų, 4-硝基苯硫酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-硝基苯硫酚 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-硝基苯硫酚?
The CAS number of 4-硝基苯硫酚 is 1849-36-1.
What is the molecular formula of 4-硝基苯硫酚?
The molecular formula of 4-硝基苯硫酚 is C6H5NO2S.
What is the molecular weight of 4-硝基苯硫酚?
The molecular weight of 4-硝基苯硫酚 is 155.00 g/mol.
Where can I buy 4-硝基苯硫酚?
You can request a quote for 4-硝基苯硫酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基苯硫酚?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基苯硫酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.