3H-1,2,4-Triazole-3-thione, 5-methyl-
TL;DR: 3H-1,2,4-Triazole-3-thione, 5-methyl- (CAS 5803-95-2) is a chemical compound with molecular formula C3H3N3S and molecular weight 113.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,2,4-triazole-3-thione
Also Known As: 5-Methyl-1,2,4-triazol-3-thione, 3H-1,2,4-Triazole-3-thione, 5-methyl-, 5-methyl-1,2,4-triazole-3-thione, 3-Methyl-1,2,4-triazole-5-thione, 5-METHYL-3H-1,2,4-TRIAZOLE-3-THIONE
| Molecular Formula | C3H3N3S |
|---|---|
| Molecular Weight | 113.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 113.00477 |
| Heavy Atoms | 7 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 5803-95-2 |
|---|---|
| SMILES | CC1=NC(=S)N=N1 |
| InChIKey | KVZFUSOGIRITMN-UHFFFAOYSA-N |
Product Overview
3H-1,2,4-Triazole-3-thione, 5-methyl- (CAS 5803-95-2), with molecular formula C3H3N3S and molecular weight 113.00 g/mol. IUPAC: 5-methyl-1,2,4-triazole-3-thione.
Chemical Property Profile of 3H-1,2,4-Triazole-3-thione, 5-methyl-
Property Insights of 3H-1,2,4-Triazole-3-thione, 5-methyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,2,4-Triazole-3-thione, 5-methyl-. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-1,2,4-Triazole-3-thione, 5-methyl-. Following Lipinski's Rule of Five, 3H-1,2,4-Triazole-3-thione, 5-methyl- has 0 hydrogen bond donor(s) and 1 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, 5-methyl-?
The CAS number of 3H-1,2,4-Triazole-3-thione, 5-methyl- is 5803-95-2.
What is the molecular formula of 3H-1,2,4-Triazole-3-thione, 5-methyl-?
The molecular formula of 3H-1,2,4-Triazole-3-thione, 5-methyl- is C3H3N3S.
What is the molecular weight of 3H-1,2,4-Triazole-3-thione, 5-methyl-?
The molecular weight of 3H-1,2,4-Triazole-3-thione, 5-methyl- is 113.00 g/mol.
Where can I buy 3H-1,2,4-Triazole-3-thione, 5-methyl-?
You can request a quote for 3H-1,2,4-Triazole-3-thione, 5-methyl- 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, 5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,2,4-Triazole-3-thione, 5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.