3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl-
TL;DR: 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl- (CAS 6268-59-3) is a chemical compound with molecular formula C9H9N3S and molecular weight 191.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-methyl-4-phenyl-4H-1,2,4-triazole-3-thiol, EINECS 228-342-8, 3-methyl-4-phenyl-1H-1,2,4-triazole-5-thione, 5-Methyl-4-phenyl-4H-[1,2,4]triazole-3-thiol, 5-methyl-4-phenyl-1,2,4-triazole-3-thiol
| Molecular Formula | C9H9N3S |
|---|---|
| Molecular Weight | 191.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.05171 |
| Heavy Atoms | 13 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 6268-59-3 |
|---|---|
| SMILES | CC1=NNC(=S)N1C2=CC=CC=C2 |
| InChIKey | VITIJXJNRKRDKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl- (CAS 6268-59-3), with molecular formula C9H9N3S and molecular weight 191.05 g/mol. IUPAC: 3-methyl-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl-
Property Insights of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl-. With a topological polar surface area (TPSA) of 59.7 Ų, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl- has 1 hydrogen bond donor(s) and 2 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 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl-?
The CAS number of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl- is 6268-59-3.
What is the molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl-?
The molecular formula of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl- is C9H9N3S.
What is the molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl-?
The molecular weight of 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl- is 191.05 g/mol.
Where can I buy 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl-?
You can request a quote for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-methyl-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.