3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile
TL;DR: 3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile (CAS 3889-65-4) is a chemical compound with molecular formula C5H3ClN2S2 and molecular weight 189.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-methylsulfanyl-1,2-thiazole-4-carbonitrile
Also Known As: 3-chloro-5-methylsulfanyl-1,2-thiazole-4-carbonitrile, 3-chloro-5-(methylthio)isothiazole-4-carbonitrile, 3-chloro-5-methylsulfanyl-isothiazole-4-carbonitrile, 3-chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile
| Molecular Formula | C5H3ClN2S2 |
|---|---|
| Molecular Weight | 189.94 g/mol |
| LogP | 2.39008 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.94261 |
| Heavy Atoms | 10 |
| Complexity | 275.6656 |
Chemical Identifiers
| CAS Number | 3889-65-4 |
|---|---|
| SMILES | CSC1=C(C(=NS1)Cl)C#N |
Product Overview
3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile (CAS 3889-65-4), with molecular formula C5H3ClN2S2 and molecular weight 189.94 g/mol. IUPAC: 3-chloro-5-methylsulfanyl-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile
Property Insights of 3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile
The XLogP value of 2.39008 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile. With a topological polar surface area (TPSA) of 36.68 Ų, 3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile has 0 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 3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile?
The CAS number of 3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile is 3889-65-4.
What is the molecular formula of 3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile?
The molecular formula of 3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile is C5H3ClN2S2.
What is the molecular weight of 3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile?
The molecular weight of 3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile is 189.94 g/mol.
Where can I buy 3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile?
You can request a quote for 3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-(methylsulfanyl)-1,2-thiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.