![3-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile structure](/static/products/3387/338778-08-8.webp)
3-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile
TL;DR: 3-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile (CAS 338778-08-8) is a chemical compound with molecular formula C7H5N3S2 and molecular weight 194.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyanomethylsulfanyl)-5-methyl-1,2-thiazole-4-carbonitrile
Also Known As: 3-[(cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile, 3-[(cyanomethyl)sulfanyl]-5-methyl-1,2-thiazole-4-carbonitrile, cyanomethylsulfanylmethylisothiazolecarbonitrile, 6C-006, 3-(cyanomethylsulfanyl)-5-methyl-1,2-thiazole-4-carbonitrile
| Molecular Formula | C7H5N3S2 |
|---|---|
| Molecular Weight | 194.99 g/mol |
| LogP | 1.93888 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.9925 |
| Heavy Atoms | 12 |
| Complexity | 355.7089 |
Chemical Identifiers
| CAS Number | 338778-08-8 |
|---|---|
| SMILES | CC1=C(C(=NS1)SCC#N)C#N |
Product Overview
3-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile (CAS 338778-08-8), with molecular formula C7H5N3S2 and molecular weight 194.99 g/mol. IUPAC: 3-(cyanomethylsulfanyl)-5-methyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile
Property Insights of 3-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile
The XLogP value of 1.93888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile. The TPSA of 60.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile. Following Lipinski's Rule of Five, 3-[(Cyanomethyl)sulfanyl]-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-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile?
The CAS number of 3-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile is 338778-08-8.
What is the molecular formula of 3-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile?
The molecular formula of 3-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile is C7H5N3S2.
What is the molecular weight of 3-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile?
The molecular weight of 3-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile is 194.99 g/mol.
Where can I buy 3-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile?
You can request a quote for 3-[(Cyanomethyl)sulfanyl]-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-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Cyanomethyl)sulfanyl]-5-methyl-4-isothiazolecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.