Benzenesulfenic acid, 2-nitro-
TL;DR: Benzenesulfenic acid, 2-nitro- (CAS 58534-19-3) is a chemical compound with molecular formula C6H5NO3S and molecular weight 171.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxysulfanyl-2-nitrobenzene
Also Known As: Benzenesulfenic acid, 2-nitro-, o-nitrobenzenesulphenic acid, 1-hydroxysulfanyl-2-nitrobenzene, 2-Nitrobenzene-1-SO-thioperoxol, RefChem:325196
| Molecular Formula | C6H5NO3S |
|---|---|
| Molecular Weight | 171.00 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.99901 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 58534-19-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])SO |
| InChIKey | KFRFUXWRXKPOCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfenic acid, 2-nitro- (CAS 58534-19-3), with molecular formula C6H5NO3S and molecular weight 171.00 g/mol. IUPAC: 1-hydroxysulfanyl-2-nitrobenzene.
Chemical Property Profile of Benzenesulfenic acid, 2-nitro-
Property Insights of Benzenesulfenic acid, 2-nitro-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfenic acid, 2-nitro-. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfenic acid, 2-nitro-. Following Lipinski's Rule of Five, Benzenesulfenic acid, 2-nitro- has 1 hydrogen bond donor(s) and 4 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 Benzenesulfenic acid, 2-nitro-?
The CAS number of Benzenesulfenic acid, 2-nitro- is 58534-19-3.
What is the molecular formula of Benzenesulfenic acid, 2-nitro-?
The molecular formula of Benzenesulfenic acid, 2-nitro- is C6H5NO3S.
What is the molecular weight of Benzenesulfenic acid, 2-nitro-?
The molecular weight of Benzenesulfenic acid, 2-nitro- is 171.00 g/mol.
Where can I buy Benzenesulfenic acid, 2-nitro-?
You can request a quote for Benzenesulfenic acid, 2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfenic acid, 2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfenic acid, 2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.