5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole
TL;DR: 5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole (CAS 444791-16-6) is a chemical compound with molecular formula C9H7ClN2S3 and molecular weight 273.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-chlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole, 5-((3-Chlorobenzyl)thio)-1,3,4-thiadiazole-2-thiol, 5-[(3-chlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione, 3-Bromo-5-chloropyridine-2-carbonitrile, 5- -2-MERCAPTO-1,3,4-THIADIAZOLE
| Molecular Formula | C9H7ClN2S3 |
|---|---|
| Molecular Weight | 273.95 g/mol |
| LogP | 4.14639 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.94598 |
| Heavy Atoms | 15 |
| Complexity | 505.8086 |
Chemical Identifiers
| CAS Number | 444791-16-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CSC2=NNC(=S)S2 |
Product Overview
5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole (CAS 444791-16-6), with molecular formula C9H7ClN2S3 and molecular weight 273.95 g/mol. IUPAC: 5-[(3-chlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole
Property Insights of 5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole
The XLogP value of 4.14639 indicates that 5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole 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-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole?
The CAS number of 5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole is 444791-16-6.
What is the molecular formula of 5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole?
The molecular formula of 5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole is C9H7ClN2S3.
What is the molecular weight of 5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole?
The molecular weight of 5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole is 273.95 g/mol.
Where can I buy 5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole?
You can request a quote for 5-(3-Chlorobenzylthio)-2-mercapto-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 5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.