1-(Chloromethanesulfinyl)-4-nitrobenzene
TL;DR: 1-(Chloromethanesulfinyl)-4-nitrobenzene (CAS 7205-95-0) is a chemical compound with molecular formula C7H6ClNO3S and molecular weight 218.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethylsulfinyl)-4-nitrobenzene
Also Known As: 1-(chloromethylsulfinyl)-4-nitrobenzene, 1-(Chloromethanesulfinyl)-4-nitrobenzene, BENZENE,1-[(CHLOROMETHYL)SULFINYL]-4-NITRO-
| Molecular Formula | C7H6ClNO3S |
|---|---|
| Molecular Weight | 218.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.9757 |
| Heavy Atoms | 13 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 7205-95-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)CCl |
| InChIKey | VZKXFNMXBJWQKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Chloromethanesulfinyl)-4-nitrobenzene (CAS 7205-95-0), with molecular formula C7H6ClNO3S and molecular weight 218.98 g/mol. IUPAC: 1-(chloromethylsulfinyl)-4-nitrobenzene.
Chemical Property Profile of 1-(Chloromethanesulfinyl)-4-nitrobenzene
Property Insights of 1-(Chloromethanesulfinyl)-4-nitrobenzene
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Chloromethanesulfinyl)-4-nitrobenzene. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Chloromethanesulfinyl)-4-nitrobenzene. Following Lipinski's Rule of Five, 1-(Chloromethanesulfinyl)-4-nitrobenzene has 0 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 1-(Chloromethanesulfinyl)-4-nitrobenzene?
The CAS number of 1-(Chloromethanesulfinyl)-4-nitrobenzene is 7205-95-0.
What is the molecular formula of 1-(Chloromethanesulfinyl)-4-nitrobenzene?
The molecular formula of 1-(Chloromethanesulfinyl)-4-nitrobenzene is C7H6ClNO3S.
What is the molecular weight of 1-(Chloromethanesulfinyl)-4-nitrobenzene?
The molecular weight of 1-(Chloromethanesulfinyl)-4-nitrobenzene is 218.98 g/mol.
Where can I buy 1-(Chloromethanesulfinyl)-4-nitrobenzene?
You can request a quote for 1-(Chloromethanesulfinyl)-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Chloromethanesulfinyl)-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chloromethanesulfinyl)-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.