3-Methylbenzenesulphonyl chloride
TL;DR: 3-Methylbenzenesulphonyl chloride (CAS 1899-93-0) is a chemical compound with molecular formula C7H7ClO2S and molecular weight 189.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbenzenesulfonyl chloride
Also Known As: 3-methylbenzenesulfonyl Chloride, m-Toluenesulfonyl chloride, 3-Toluenesulfonyl chloride, 3-methylbenzene-1-sulfonyl chloride, Benzenesulfonyl chloride, 3-methyl-
| Molecular Formula | C7H7ClO2S |
|---|---|
| Molecular Weight | 189.99 g/mol |
| LogP | 1.92252 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.98553 |
| Heavy Atoms | 11 |
| Complexity | 356.45825 |
Chemical Identifiers
| CAS Number | 1899-93-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)Cl |
Product Overview
3-Methylbenzenesulphonyl chloride (CAS 1899-93-0), with molecular formula C7H7ClO2S and molecular weight 189.99 g/mol. IUPAC: 3-methylbenzenesulfonyl chloride.
Chemical Property Profile of 3-Methylbenzenesulphonyl chloride
Property Insights of 3-Methylbenzenesulphonyl chloride
The XLogP value of 1.92252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbenzenesulphonyl chloride. With a topological polar surface area (TPSA) of 34.14 Ų, 3-Methylbenzenesulphonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbenzenesulphonyl chloride has 0 hydrogen bond donor(s) and 2 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 3-Methylbenzenesulphonyl chloride?
The CAS number of 3-Methylbenzenesulphonyl chloride is 1899-93-0.
What is the molecular formula of 3-Methylbenzenesulphonyl chloride?
The molecular formula of 3-Methylbenzenesulphonyl chloride is C7H7ClO2S.
What is the molecular weight of 3-Methylbenzenesulphonyl chloride?
The molecular weight of 3-Methylbenzenesulphonyl chloride is 189.99 g/mol.
Where can I buy 3-Methylbenzenesulphonyl chloride?
You can request a quote for 3-Methylbenzenesulphonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbenzenesulphonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbenzenesulphonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.