3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide
TL;DR: 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide (CAS 13228-79-0) is a chemical compound with molecular formula C4H6N4OS and molecular weight 158.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)formamide
Also Known As: NCIOpen2_000837, 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide, 4-Formamido-3-methyl-s-triazol-5-thiol, N-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)formamide, N-(3-Methyl-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)formamide
| Molecular Formula | C4H6N4OS |
|---|---|
| Molecular Weight | 158.03 g/mol |
| LogP | -0.05099 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.02623 |
| Heavy Atoms | 10 |
| Complexity | 287.69284 |
Chemical Identifiers
| CAS Number | 13228-79-0 |
|---|---|
| SMILES | CC1=NNC(=S)N1NC=O |
Product Overview
3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide (CAS 13228-79-0), with molecular formula C4H6N4OS and molecular weight 158.03 g/mol. IUPAC: N-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)formamide.
Chemical Property Profile of 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide
Property Insights of 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide
The XLogP value of -0.05099 indicates that 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide. Following Lipinski's Rule of Five, 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide has 2 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 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide?
The CAS number of 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide is 13228-79-0.
What is the molecular formula of 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide?
The molecular formula of 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide is C4H6N4OS.
What is the molecular weight of 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide?
The molecular weight of 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide is 158.03 g/mol.
Where can I buy 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide?
You can request a quote for 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-ylformamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.