![3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile structure](/static/products/3433/343375-69-9.webp)
3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile
TL;DR: 3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile (CAS 343375-69-9) is a chemical compound with molecular formula C12H9ClN2O2S2 and molecular weight 311.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylsulfonyl]-5-methyl-1,2-thiazole-4-carbonitrile
Also Known As: 3-[(4-chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile, 3-[(4-chlorophenyl)methanesulfonyl]-5-methyl-1,2-thiazole-4-carbonitrile, 7C-144, 3-[(4-chlorophenyl)methylsulfonyl]-5-methyl-1,2-thiazole-4-carbonitrile, 3-[(4-chlorophenyl)methylsulfonyl]-5-methyl-isothiazole-4-carbonitrile
| Molecular Formula | C12H9ClN2O2S2 |
|---|---|
| Molecular Weight | 311.98 g/mol |
| LogP | 2.9505 |
| Topological Polar Surface Area | 70.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.9794 |
| Heavy Atoms | 19 |
| Complexity | 743.02686 |
Chemical Identifiers
| CAS Number | 343375-69-9 |
|---|---|
| SMILES | CC1=C(C(=NS1)S(=O)(=O)CC2=CC=C(C=C2)Cl)C#N |
Product Overview
3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile (CAS 343375-69-9), with molecular formula C12H9ClN2O2S2 and molecular weight 311.98 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfonyl]-5-methyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile
Property Insights of 3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile
The XLogP value of 2.9505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile. The TPSA of 70.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile. Following Lipinski's Rule of Five, 3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile has 0 hydrogen bond donor(s) and 5 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-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile?
The CAS number of 3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile is 343375-69-9.
What is the molecular formula of 3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile?
The molecular formula of 3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile is C12H9ClN2O2S2.
What is the molecular weight of 3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile?
The molecular weight of 3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile is 311.98 g/mol.
Where can I buy 3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile?
You can request a quote for 3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Chlorobenzyl)sulfonyl]-5-methyl-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.