2-Nitrobenzenesulfenyl chloride
TL;DR: 2-Nitrobenzenesulfenyl chloride (CAS 7669-54-7) is a chemical compound with molecular formula C6H4ClNO2S and molecular weight 188.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitrophenyl) thiohypochlorite
Also Known As: 2-Nitrobenzenesulfenyl chloride, 2-Nitrophenylsulfenyl chloride, NPS Reagent, Benzenesulfenyl chloride, 2-nitro-, o-Nitrobenzenesulfenyl chloride
| Molecular Formula | C6H4ClNO2S |
|---|---|
| Molecular Weight | 188.97 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.96513 |
| Heavy Atoms | 11 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 7669-54-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])SCl |
| InChIKey | NTNKNFHIAFDCSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrobenzenesulfenyl chloride (CAS 7669-54-7), with molecular formula C6H4ClNO2S and molecular weight 188.97 g/mol. IUPAC: (2-nitrophenyl) thiohypochlorite.
Chemical Property Profile of 2-Nitrobenzenesulfenyl chloride
Property Insights of 2-Nitrobenzenesulfenyl chloride
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrobenzenesulfenyl chloride. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrobenzenesulfenyl chloride. Following Lipinski's Rule of Five, 2-Nitrobenzenesulfenyl chloride has 0 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 2-Nitrobenzenesulfenyl chloride?
The CAS number of 2-Nitrobenzenesulfenyl chloride is 7669-54-7.
What is the molecular formula of 2-Nitrobenzenesulfenyl chloride?
The molecular formula of 2-Nitrobenzenesulfenyl chloride is C6H4ClNO2S.
What is the molecular weight of 2-Nitrobenzenesulfenyl chloride?
The molecular weight of 2-Nitrobenzenesulfenyl chloride is 188.97 g/mol.
Where can I buy 2-Nitrobenzenesulfenyl chloride?
You can request a quote for 2-Nitrobenzenesulfenyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrobenzenesulfenyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrobenzenesulfenyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.