2-Methyl-5-phenyl-1,3,4-thiadiazole
TL;DR: 2-Methyl-5-phenyl-1,3,4-thiadiazole (CAS 1456-72-0) is a chemical compound with molecular formula C9H8N2S and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-phenyl-1,3,4-thiadiazole
Also Known As: 2-Methyl-5-phenyl-1,3,4-thiadiazole, 1,3,4-Thiadiazole, 2-methyl-5-phenyl-, 2-Metil-5-fenil-1,3,4-tiadiazolo, 2-Metil-5-fenil-1,3,4-tiadiazolo [Italian], 4-27-00-07146 (Beilstein Handbook Reference)
| Molecular Formula | C9H8N2S |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.04082 |
| Heavy Atoms | 12 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 1456-72-0 |
|---|---|
| SMILES | CC1=NN=C(S1)C2=CC=CC=C2 |
| InChIKey | GEVBBQNWDQJVTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-5-phenyl-1,3,4-thiadiazole (CAS 1456-72-0), with molecular formula C9H8N2S and molecular weight 176.04 g/mol. IUPAC: 2-methyl-5-phenyl-1,3,4-thiadiazole.
Chemical Property Profile of 2-Methyl-5-phenyl-1,3,4-thiadiazole
Property Insights of 2-Methyl-5-phenyl-1,3,4-thiadiazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-phenyl-1,3,4-thiadiazole. With a topological polar surface area (TPSA) of 54.0 Ų, 2-Methyl-5-phenyl-1,3,4-thiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-5-phenyl-1,3,4-thiadiazole has 0 hydrogen bond donor(s) and 3 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-Methyl-5-phenyl-1,3,4-thiadiazole?
The CAS number of 2-Methyl-5-phenyl-1,3,4-thiadiazole is 1456-72-0.
What is the molecular formula of 2-Methyl-5-phenyl-1,3,4-thiadiazole?
The molecular formula of 2-Methyl-5-phenyl-1,3,4-thiadiazole is C9H8N2S.
What is the molecular weight of 2-Methyl-5-phenyl-1,3,4-thiadiazole?
The molecular weight of 2-Methyl-5-phenyl-1,3,4-thiadiazole is 176.04 g/mol.
Where can I buy 2-Methyl-5-phenyl-1,3,4-thiadiazole?
You can request a quote for 2-Methyl-5-phenyl-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-Methyl-5-phenyl-1,3,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-phenyl-1,3,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.