2-硝基-4-羧基苯硫基氯
TL;DR: 2-硝基-4-羧基苯硫基氯 (CAS 19961-56-9) is a chemical compound with molecular formula C7H4ClNO4S and molecular weight 232.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-硝基-4-羧基苯硫基氯
4-chlorosulfanyl-3-nitrobenzoic acid
Also Known As: 2-Ncpsc, 2-Nitro-4-carboxyphenylsulfenyl chloride, 4-chlorosulfanyl-3-nitrobenzoic acid, 4-(chlorothio)-3-nitrobenzoic acid, Benzoic acid,4-(chlorothio)-3-nitro-
| Molecular Formula | C7H4ClNO4S |
|---|---|
| Molecular Weight | 232.95 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.95496 |
| Heavy Atoms | 14 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 19961-56-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])SCl |
| InChIKey | UUVOHMQWLRUWAU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-硝基-4-羧基苯硫基氯 (CAS 19961-56-9), with molecular formula C7H4ClNO4S and molecular weight 232.95 g/mol. IUPAC: 4-chlorosulfanyl-3-nitrobenzoic acid.
Chemical Property Profile of 2-硝基-4-羧基苯硫基氯
Property Insights of 2-硝基-4-羧基苯硫基氯
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-硝基-4-羧基苯硫基氯. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-硝基-4-羧基苯硫基氯. Following Lipinski's Rule of Five, 2-硝基-4-羧基苯硫基氯 has 1 hydrogen bond donor(s) and 5 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-硝基-4-羧基苯硫基氯?
The CAS number of 2-硝基-4-羧基苯硫基氯 is 19961-56-9.
What is the molecular formula of 2-硝基-4-羧基苯硫基氯?
The molecular formula of 2-硝基-4-羧基苯硫基氯 is C7H4ClNO4S.
What is the molecular weight of 2-硝基-4-羧基苯硫基氯?
The molecular weight of 2-硝基-4-羧基苯硫基氯 is 232.95 g/mol.
Where can I buy 2-硝基-4-羧基苯硫基氯?
You can request a quote for 2-硝基-4-羧基苯硫基氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-硝基-4-羧基苯硫基氯?
Yes, KEHONG BIO provides custom synthesis services for 2-硝基-4-羧基苯硫基氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.