1-Chloro-2-methyl-3-(sulfinylamino)benzene
TL;DR: 1-Chloro-2-methyl-3-(sulfinylamino)benzene (CAS 82608-90-0) is a chemical compound with molecular formula C7H6ClNOS and molecular weight 186.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2-methyl-3-(sulfinylamino)benzene
Also Known As: 1-chloro-2-methyl-3-(sulfinylamino)benzene, 3-Chloro-2-methyl-N-sulfinylbenzenamine, Benzenamine, 3-chloro-2-methyl-N-sulfinyl-, (Z)-, benzene, 1-chloro-2-methyl-3-(sulfinylamino)-, Benzenamine,3-chloro-2-methyl-N-sulfinyl-, -
| Molecular Formula | C7H6ClNOS |
|---|---|
| Molecular Weight | 186.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 30.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.98586 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 82608-90-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N=S=O |
| InChIKey | WDFSGTRWQNTXKB-UHFFFAOYSA-N |
Product Overview
1-Chloro-2-methyl-3-(sulfinylamino)benzene (CAS 82608-90-0), with molecular formula C7H6ClNOS and molecular weight 186.99 g/mol. IUPAC: 1-chloro-2-methyl-3-(sulfinylamino)benzene.
Chemical Property Profile of 1-Chloro-2-methyl-3-(sulfinylamino)benzene
Property Insights of 1-Chloro-2-methyl-3-(sulfinylamino)benzene
The XLogP value of 3.5 indicates that 1-Chloro-2-methyl-3-(sulfinylamino)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.4 Ų, 1-Chloro-2-methyl-3-(sulfinylamino)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-2-methyl-3-(sulfinylamino)benzene 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 1-Chloro-2-methyl-3-(sulfinylamino)benzene?
The CAS number of 1-Chloro-2-methyl-3-(sulfinylamino)benzene is 82608-90-0.
What is the molecular formula of 1-Chloro-2-methyl-3-(sulfinylamino)benzene?
The molecular formula of 1-Chloro-2-methyl-3-(sulfinylamino)benzene is C7H6ClNOS.
What is the molecular weight of 1-Chloro-2-methyl-3-(sulfinylamino)benzene?
The molecular weight of 1-Chloro-2-methyl-3-(sulfinylamino)benzene is 186.99 g/mol.
Where can I buy 1-Chloro-2-methyl-3-(sulfinylamino)benzene?
You can request a quote for 1-Chloro-2-methyl-3-(sulfinylamino)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-2-methyl-3-(sulfinylamino)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-2-methyl-3-(sulfinylamino)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.