3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole
TL;DR: 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole (CAS 845879-27-8) is a chemical compound with molecular formula C10H9ClN2OS2 and molecular weight 271.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-[(4-methylphenyl)methylsulfinyl]-1,2,4-thiadiazole
Also Known As: 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole, 3-Chloro-5-((4-methylbenzyl)sulfinyl)-1,2,4-thiadiazole, 3-chloro-5-[(4-methylphenyl)methylsulfinyl]-1,2,4-thiadiazole, 3-chloro-5-(p-tolylmethylsulfinyl)-1,2,4-thiadiazole, 1,2,4-Thiadiazole, 3-chloro-5-[[(4-methylphenyl)methyl]sulfinyl]-
| Molecular Formula | C10H9ClN2OS2 |
|---|---|
| Molecular Weight | 271.98 g/mol |
| LogP | 2.80772 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.9845 |
| Heavy Atoms | 16 |
| Complexity | 509.7925 |
Chemical Identifiers
| CAS Number | 845879-27-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CS(=O)C2=NC(=NS2)Cl |
Product Overview
3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole (CAS 845879-27-8), with molecular formula C10H9ClN2OS2 and molecular weight 271.98 g/mol. IUPAC: 3-chloro-5-[(4-methylphenyl)methylsulfinyl]-1,2,4-thiadiazole.
Chemical Property Profile of 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole
Property Insights of 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole
The XLogP value of 2.80772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole. With a topological polar surface area (TPSA) of 42.85 Ų, 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole has 0 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 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole?
The CAS number of 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole is 845879-27-8.
What is the molecular formula of 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole?
The molecular formula of 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole is C10H9ClN2OS2.
What is the molecular weight of 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole?
The molecular weight of 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole is 271.98 g/mol.
Where can I buy 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole?
You can request a quote for 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-5-(4-methylbenzylsulfinyl)-1,2,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.