Sulfide, 2-chloroethyl o-nitrophenyl
TL;DR: Sulfide, 2-chloroethyl o-nitrophenyl (CAS 62047-27-2) is a chemical compound with molecular formula C8H8ClNO2S and molecular weight 217.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethylsulfanyl)-2-nitrobenzene
Also Known As: Sulfide, 2-chloroethyl o-nitrophenyl, 1-[(2-chloroethyl)thio]-2-nitrobenzene, 1-((2-Chloroethyl)thio)-2-nitrobenzene, 1-(2-chloroethylsulfanyl)-2-nitrobenzene, (2-chloroethyl)(2-nitrophenyl)sulfane
| Molecular Formula | C8H8ClNO2S |
|---|---|
| Molecular Weight | 217.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.99643 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 62047-27-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])SCCCl |
| InChIKey | NDGBEMZDTZFYFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfide, 2-chloroethyl o-nitrophenyl (CAS 62047-27-2), with molecular formula C8H8ClNO2S and molecular weight 217.00 g/mol. IUPAC: 1-(2-chloroethylsulfanyl)-2-nitrobenzene.
Chemical Property Profile of Sulfide, 2-chloroethyl o-nitrophenyl
Property Insights of Sulfide, 2-chloroethyl o-nitrophenyl
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfide, 2-chloroethyl o-nitrophenyl. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfide, 2-chloroethyl o-nitrophenyl. Following Lipinski's Rule of Five, Sulfide, 2-chloroethyl o-nitrophenyl 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 Sulfide, 2-chloroethyl o-nitrophenyl?
The CAS number of Sulfide, 2-chloroethyl o-nitrophenyl is 62047-27-2.
What is the molecular formula of Sulfide, 2-chloroethyl o-nitrophenyl?
The molecular formula of Sulfide, 2-chloroethyl o-nitrophenyl is C8H8ClNO2S.
What is the molecular weight of Sulfide, 2-chloroethyl o-nitrophenyl?
The molecular weight of Sulfide, 2-chloroethyl o-nitrophenyl is 217.00 g/mol.
Where can I buy Sulfide, 2-chloroethyl o-nitrophenyl?
You can request a quote for Sulfide, 2-chloroethyl o-nitrophenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfide, 2-chloroethyl o-nitrophenyl?
Yes, KEHONG BIO provides custom synthesis services for Sulfide, 2-chloroethyl o-nitrophenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.