![2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole structure](/static/products/969/96993-48-5.png)
2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole
TL;DR: 2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole (CAS 96993-48-5) is a chemical compound with molecular formula C4H5ClN2S3 and molecular weight 211.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole
Also Known As: 2-[(chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole, 1,3,4-thiadiazole, 2-[(chloromethyl)thio]-5-(methylthio)-, 2-(chloromethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole, InChI=1/C4H5ClN2S3/c1-8-3-6-7-4(10-3)9-2-5/h2H2,1H
| Molecular Formula | C4H5ClN2S3 |
|---|---|
| Molecular Weight | 211.93 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.93034 |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 96993-48-5 |
|---|---|
| SMILES | CSC1=NN=C(S1)SCCl |
| InChIKey | WFVVTDHUJKEVLH-UHFFFAOYSA-N |
Product Overview
2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole (CAS 96993-48-5), with molecular formula C4H5ClN2S3 and molecular weight 211.93 g/mol. IUPAC: 2-(chloromethylsulfanyl)-5-methylsulfanyl-1,3,4-thiadiazole.
Chemical Property Profile of 2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole
Property Insights of 2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole. Following Lipinski's Rule of Five, 2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole 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 2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole?
The CAS number of 2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole is 96993-48-5.
What is the molecular formula of 2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole?
The molecular formula of 2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole is C4H5ClN2S3.
What is the molecular weight of 2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole?
The molecular weight of 2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole is 211.93 g/mol.
Where can I buy 2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole?
You can request a quote for 2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Chloromethyl)thio]-5-(methylthio)-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.