2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole
TL;DR: 2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole (CAS 113589-76-7) is a chemical compound with molecular formula C10H10N2S2 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole
Also Known As: 2-(Methylthio)-5-(p-tolyl)-1,3,4-thiadiazole, 2-(4-methylphenyl)-5-(methylsulfanyl)-1,3,4-thiadiazole, 2-(4-Methylphenyl)-5-(methylthio)-1,3,4-thiadiazole, 2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole, 653-313-5
| Molecular Formula | C10H10N2S2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 3.23542 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.02853 |
| Heavy Atoms | 14 |
| Complexity | 419.942 |
Chemical Identifiers
| CAS Number | 113589-76-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(S2)SC |
Product Overview
2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole (CAS 113589-76-7), with molecular formula C10H10N2S2 and molecular weight 222.03 g/mol. IUPAC: 2-(4-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazole.
Chemical Property Profile of 2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole
Property Insights of 2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole
The XLogP value of 3.23542 indicates that 2-(Methylthio)-5-(P-tolyl)-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 25.78 Ų, 2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylthio)-5-(P-tolyl)-1,3,4-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 2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole?
The CAS number of 2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole is 113589-76-7.
What is the molecular formula of 2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole?
The molecular formula of 2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole is C10H10N2S2.
What is the molecular weight of 2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole?
The molecular weight of 2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole is 222.03 g/mol.
Where can I buy 2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole?
You can request a quote for 2-(Methylthio)-5-(P-tolyl)-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 2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)-5-(P-tolyl)-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.