4-Nitrobenzyl mercaptan
TL;DR: 4-Nitrobenzyl mercaptan (CAS 32305-41-2) is a chemical compound with molecular formula C7H7NO2S and molecular weight 169.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methanethiol
Also Known As: (4-nitrophenyl)methanethiol, 4-Nitrobenzyl thiol, 4-Nitrobenzyl mercaptan, 4-Nitrobenzenemethanethiol, 4-Nitrobenzylthiol
| Molecular Formula | C7H7NO2S |
|---|---|
| Molecular Weight | 169.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 46.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.01974 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 32305-41-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CS)[N+](=O)[O-] |
| InChIKey | ACFHLWCEZHYYKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrobenzyl mercaptan (CAS 32305-41-2), with molecular formula C7H7NO2S and molecular weight 169.02 g/mol. IUPAC: (4-nitrophenyl)methanethiol.
Chemical Property Profile of 4-Nitrobenzyl mercaptan
Property Insights of 4-Nitrobenzyl mercaptan
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzyl mercaptan. With a topological polar surface area (TPSA) of 46.8 Ų, 4-Nitrobenzyl mercaptan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitrobenzyl mercaptan 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-Nitrobenzyl mercaptan?
The CAS number of 4-Nitrobenzyl mercaptan is 32305-41-2.
What is the molecular formula of 4-Nitrobenzyl mercaptan?
The molecular formula of 4-Nitrobenzyl mercaptan is C7H7NO2S.
What is the molecular weight of 4-Nitrobenzyl mercaptan?
The molecular weight of 4-Nitrobenzyl mercaptan is 169.02 g/mol.
Where can I buy 4-Nitrobenzyl mercaptan?
You can request a quote for 4-Nitrobenzyl mercaptan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrobenzyl mercaptan?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzyl mercaptan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.