Benzene, 1-((2-chloroethyl)thio)-4-nitro-
TL;DR: Benzene, 1-((2-chloroethyl)thio)-4-nitro- (CAS 5535-73-9) 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)-4-nitrobenzene
Also Known As: 2-Chloroethyl p-nitrophenyl sulfide, 2-Chloroethyl 4-nitrophenyl sulfide, Sulfide, 2-chloroethyl p-nitrophenyl, starbld0037121, 1-[ thio]-4-nitrobenzene
| 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 | 166.0 |
Chemical Identifiers
| CAS Number | 5535-73-9 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SCCCl |
| InChIKey | XSHHJXAFSBWTJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-((2-chloroethyl)thio)-4-nitro- (CAS 5535-73-9), with molecular formula C8H8ClNO2S and molecular weight 217.00 g/mol. IUPAC: 1-(2-chloroethylsulfanyl)-4-nitrobenzene.
Chemical Property Profile of Benzene, 1-((2-chloroethyl)thio)-4-nitro-
Property Insights of Benzene, 1-((2-chloroethyl)thio)-4-nitro-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-((2-chloroethyl)thio)-4-nitro-. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-((2-chloroethyl)thio)-4-nitro-. Following Lipinski's Rule of Five, Benzene, 1-((2-chloroethyl)thio)-4-nitro- 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 Benzene, 1-((2-chloroethyl)thio)-4-nitro-?
The CAS number of Benzene, 1-((2-chloroethyl)thio)-4-nitro- is 5535-73-9.
What is the molecular formula of Benzene, 1-((2-chloroethyl)thio)-4-nitro-?
The molecular formula of Benzene, 1-((2-chloroethyl)thio)-4-nitro- is C8H8ClNO2S.
What is the molecular weight of Benzene, 1-((2-chloroethyl)thio)-4-nitro-?
The molecular weight of Benzene, 1-((2-chloroethyl)thio)-4-nitro- is 217.00 g/mol.
Where can I buy Benzene, 1-((2-chloroethyl)thio)-4-nitro-?
You can request a quote for Benzene, 1-((2-chloroethyl)thio)-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-((2-chloroethyl)thio)-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-((2-chloroethyl)thio)-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.