Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl-
TL;DR: Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl- (CAS 35685-81-5) is a chemical compound with molecular formula C7H6ClFO2S2 and molecular weight 239.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-methyl-4-sulfanylbenzenesulfonyl fluoride
Also Known As: 3-chloro-5-methyl-4-sulfanylbenzenesulfonyl fluoride, Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl-, Benzenesulfonyl fluoride,3-chloro-4-mercapto-5-methyl, 3-Chloro-5-methyl-4-sulfanylbenzene-1-sulfonyl fluoride
| Molecular Formula | C7H6ClFO2S2 |
|---|---|
| Molecular Weight | 239.95 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 43.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.94818 |
| Heavy Atoms | 13 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 35685-81-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1S)Cl)S(=O)(=O)F |
| InChIKey | NQUWYTKYVMZIKS-UHFFFAOYSA-N |
Product Overview
Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl- (CAS 35685-81-5), with molecular formula C7H6ClFO2S2 and molecular weight 239.95 g/mol. IUPAC: 3-chloro-5-methyl-4-sulfanylbenzenesulfonyl fluoride.
Chemical Property Profile of Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl-
Property Insights of Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl-. With a topological polar surface area (TPSA) of 43.5 Ų, Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl- has 1 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 Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl-?
The CAS number of Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl- is 35685-81-5.
What is the molecular formula of Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl-?
The molecular formula of Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl- is C7H6ClFO2S2.
What is the molecular weight of Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl-?
The molecular weight of Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl- is 239.95 g/mol.
Where can I buy Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl-?
You can request a quote for Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonyl fluoride, 3-chloro-4-mercapto-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.