5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole
TL;DR: 5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole (CAS 136384-19-5) is a chemical compound with molecular formula C9H6Cl2N2S3 and molecular weight 307.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2,4-dichlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole, 5-Amino-2-fluoroisonicotinicacid, 5-((2,4-Dichlorobenzyl)thio)-1,3,4-thiadiazole-2-thiol, 5-[(2,4-dichlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione, 5- -2-MERCAPTO-1,3,4-THIADIAZOLE
| Molecular Formula | C9H6Cl2N2S3 |
|---|---|
| Molecular Weight | 307.91 g/mol |
| LogP | 4.79979 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.907 |
| Heavy Atoms | 16 |
| Complexity | 549.68225 |
Chemical Identifiers
| CAS Number | 136384-19-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CSC2=NNC(=S)S2 |
Product Overview
5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole (CAS 136384-19-5), with molecular formula C9H6Cl2N2S3 and molecular weight 307.91 g/mol. IUPAC: 5-[(2,4-dichlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole
Property Insights of 5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole
The XLogP value of 4.79979 indicates that 5-(2,4-Dichlorobenzylthio)-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-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2,4-Dichlorobenzylthio)-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-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole?
The CAS number of 5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole is 136384-19-5.
What is the molecular formula of 5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole?
The molecular formula of 5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole is C9H6Cl2N2S3.
What is the molecular weight of 5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole?
The molecular weight of 5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole is 307.91 g/mol.
Where can I buy 5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole?
You can request a quote for 5-(2,4-Dichlorobenzylthio)-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-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.