5-amino-N-methyl-1,2,4-triazole-1-carbothioamide
TL;DR: 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide (CAS 21731-96-4) is a chemical compound with molecular formula C4H7N5S and molecular weight 157.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-N-methyl-1,2,4-triazole-1-carbothioamide
Also Known As: N-methoxycarbonylcyanamide, 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide, 5-Amino-N-methyl-1H-1,2,4-triazole-1-carbothioamide, 1-(methylaminothioformyl)-5-amino-1,2,4-triazole, 5-Amino-[1,2,4]triazole-1-carbothioic acid methylamide
| Molecular Formula | C4H7N5S |
|---|---|
| Molecular Weight | 157.04 g/mol |
| LogP | -0.7873 |
| Topological Polar Surface Area | 68.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.04222 |
| Heavy Atoms | 10 |
| Complexity | 241.55092 |
Chemical Identifiers
| CAS Number | 21731-96-4 |
|---|---|
| SMILES | CNC(=S)N1C(=NC=N1)N |
Product Overview
5-amino-N-methyl-1,2,4-triazole-1-carbothioamide (CAS 21731-96-4), with molecular formula C4H7N5S and molecular weight 157.04 g/mol. IUPAC: 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide.
Chemical Property Profile of 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide
Property Insights of 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide
The XLogP value of -0.7873 indicates that 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide. Following Lipinski's Rule of Five, 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide has 2 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 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide?
The CAS number of 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide is 21731-96-4.
What is the molecular formula of 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide?
The molecular formula of 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide is C4H7N5S.
What is the molecular weight of 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide?
The molecular weight of 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide is 157.04 g/mol.
Where can I buy 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide?
You can request a quote for 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-N-methyl-1,2,4-triazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.