2-Cyano-5-methylbenzene-1-sulfonyl chloride
TL;DR: 2-Cyano-5-methylbenzene-1-sulfonyl chloride (CAS 197960-31-9) is a chemical compound with molecular formula C8H6ClNO2S and molecular weight 214.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-5-methylbenzenesulfonyl chloride
Also Known As: 2-cyano-5-methylbenzenesulfonyl chloride, 2-Cyano-5-methylbenzene-1-sulfonyl chloride, 2-Cyano-5-methylbenzenesulphonyl chloride, Benzenesulfonylchloride, 2-cyano-5-methyl-, Benzenesulfonyl chloride, 2-cyano-5-methyl-
| Molecular Formula | C8H6ClNO2S |
|---|---|
| Molecular Weight | 214.98 g/mol |
| LogP | 1.7942 |
| Topological Polar Surface Area | 57.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.98077 |
| Heavy Atoms | 13 |
| Complexity | 473.40765 |
Chemical Identifiers
| CAS Number | 197960-31-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C#N)S(=O)(=O)Cl |
Product Overview
2-Cyano-5-methylbenzene-1-sulfonyl chloride (CAS 197960-31-9), with molecular formula C8H6ClNO2S and molecular weight 214.98 g/mol. IUPAC: 2-cyano-5-methylbenzenesulfonyl chloride.
Chemical Property Profile of 2-Cyano-5-methylbenzene-1-sulfonyl chloride
Property Insights of 2-Cyano-5-methylbenzene-1-sulfonyl chloride
The XLogP value of 1.7942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-5-methylbenzene-1-sulfonyl chloride. With a topological polar surface area (TPSA) of 57.93 Ų, 2-Cyano-5-methylbenzene-1-sulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyano-5-methylbenzene-1-sulfonyl chloride 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 2-Cyano-5-methylbenzene-1-sulfonyl chloride?
The CAS number of 2-Cyano-5-methylbenzene-1-sulfonyl chloride is 197960-31-9.
What is the molecular formula of 2-Cyano-5-methylbenzene-1-sulfonyl chloride?
The molecular formula of 2-Cyano-5-methylbenzene-1-sulfonyl chloride is C8H6ClNO2S.
What is the molecular weight of 2-Cyano-5-methylbenzene-1-sulfonyl chloride?
The molecular weight of 2-Cyano-5-methylbenzene-1-sulfonyl chloride is 214.98 g/mol.
Where can I buy 2-Cyano-5-methylbenzene-1-sulfonyl chloride?
You can request a quote for 2-Cyano-5-methylbenzene-1-sulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-5-methylbenzene-1-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-5-methylbenzene-1-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.