5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide
TL;DR: 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide (CAS 345991-75-5) 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-[(2-chlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-(2-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole, 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazole-2-thiol, 5-[(2-chlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione, 2-(4-BROMO-1H-IMIDAZOL-1-YL)PYRIDINE, 5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl hydrosulfide
| Molecular Formula | C9H7ClN2S3 |
|---|---|
| Molecular Weight | 273.95 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.94598 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 345991-75-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NNC(=S)S2)Cl |
| InChIKey | BFPAFAVRAFFYQK-UHFFFAOYSA-N |
Product Overview
5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide (CAS 345991-75-5), with molecular formula C9H7ClN2S3 and molecular weight 273.95 g/mol. IUPAC: 5-[(2-chlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide
Property Insights of 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide
The XLogP value of 4.0 indicates that 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide. Following Lipinski's Rule of Five, 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide 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-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide?
The CAS number of 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide is 345991-75-5.
What is the molecular formula of 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide?
The molecular formula of 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide is C9H7ClN2S3.
What is the molecular weight of 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide?
The molecular weight of 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide is 273.95 g/mol.
Where can I buy 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide?
You can request a quote for 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 5-((2-Chlorobenzyl)thio)-1,3,4-thiadiazol-2-YL hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.