![5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol structure](/static/products/1428/142826-71-9.webp)
5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol
TL;DR: 5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol (CAS 142826-71-9) 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.
5-(2-chloroethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-[(2-chloroethyl)thio]-1,3,4-thiadiazole-2-thiol, 5-((2-Chloroethyl)thio)-1,3,4-thiadiazole-2-thiol, 1,3,4-Thiadiazole-2(3H)-thione,5-[(2-chloroethyl)thio]-, 5-(2-chloroethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione, 5-[(2-chloroethyl)sulfanyl]-1,3,4-thiadiazole-2-thiol
| Molecular Formula | C4H5ClN2S3 |
|---|---|
| Molecular Weight | 211.93 g/mol |
| LogP | 2.53159 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.93034 |
| Heavy Atoms | 10 |
| Complexity | 242.65079 |
Chemical Identifiers
| CAS Number | 142826-71-9 |
|---|---|
| SMILES | C(CCl)SC1=NNC(=S)S1 |
Product Overview
5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol (CAS 142826-71-9), with molecular formula C4H5ClN2S3 and molecular weight 211.93 g/mol. IUPAC: 5-(2-chloroethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol
Property Insights of 5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol
The XLogP value of 2.53159 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol. With a topological polar surface area (TPSA) of 28.68 Ų, 5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol 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 5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol is 142826-71-9.
What is the molecular formula of 5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol is C4H5ClN2S3.
What is the molecular weight of 5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol is 211.93 g/mol.
Where can I buy 5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[(2-Chloroethyl)thio]-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.