![5-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol structure](/static/products/4858/4858-38-2.webp)
5-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol
TL;DR: 5-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol (CAS 4858-38-2) 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-[(4-chlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
Also Known As: 5-{[(4-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol, BAS 05590637, 5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazole-2-thiol, 5-[(4-chlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione, 5-((4-chlorobenzyl)thio)-1,3,4-thiadiazole-2-thiol
| 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 | 488.5586 |
Chemical Identifiers
| CAS Number | 4858-38-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NNC(=S)S2)Cl |
Product Overview
5-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol (CAS 4858-38-2), with molecular formula C9H7ClN2S3 and molecular weight 273.95 g/mol. IUPAC: 5-[(4-chlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione.
Chemical Property Profile of 5-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol
Property Insights of 5-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol
The XLogP value of 4.14639 indicates that 5-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol 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-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-{[(4-Chlorophenyl)methyl]sulfanyl}-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-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol?
The CAS number of 5-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol is 4858-38-2.
What is the molecular formula of 5-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol?
The molecular formula of 5-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol is C9H7ClN2S3.
What is the molecular weight of 5-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol?
The molecular weight of 5-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol is 273.95 g/mol.
Where can I buy 5-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol?
You can request a quote for 5-{[(4-Chlorophenyl)methyl]sulfanyl}-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-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-{[(4-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.