1H-1,2,4-Triazole-5-carbothioamide
TL;DR: 1H-1,2,4-Triazole-5-carbothioamide (CAS 3641-11-0) is a chemical compound with molecular formula C3H4N4S and molecular weight 128.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-1,2,4-triazole-5-carbothioamide
Also Known As: 4H-1,2,4-triazole-3-carbothioamide, 1,2,4-triazolethioamide, 1H-1,2,4-triazole-5-carbothioamide, 1H-1,2,4-triazole-3-carbothioamide, 827-252-1
| Molecular Formula | C3H4N4S |
|---|---|
| Molecular Weight | 128.02 g/mol |
| LogP | -0.5611 |
| Topological Polar Surface Area | 67.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.01567 |
| Heavy Atoms | 8 |
| Complexity | 179.17331 |
Chemical Identifiers
| CAS Number | 3641-11-0 |
|---|---|
| SMILES | C1=NNC(=N1)C(=S)N |
Product Overview
1H-1,2,4-Triazole-5-carbothioamide (CAS 3641-11-0), with molecular formula C3H4N4S and molecular weight 128.02 g/mol. IUPAC: 1H-1,2,4-triazole-5-carbothioamide.
Chemical Property Profile of 1H-1,2,4-Triazole-5-carbothioamide
Property Insights of 1H-1,2,4-Triazole-5-carbothioamide
The XLogP value of -0.5611 indicates that 1H-1,2,4-Triazole-5-carbothioamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole-5-carbothioamide. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-5-carbothioamide 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 1H-1,2,4-Triazole-5-carbothioamide?
The CAS number of 1H-1,2,4-Triazole-5-carbothioamide is 3641-11-0.
What is the molecular formula of 1H-1,2,4-Triazole-5-carbothioamide?
The molecular formula of 1H-1,2,4-Triazole-5-carbothioamide is C3H4N4S.
What is the molecular weight of 1H-1,2,4-Triazole-5-carbothioamide?
The molecular weight of 1H-1,2,4-Triazole-5-carbothioamide is 128.02 g/mol.
Where can I buy 1H-1,2,4-Triazole-5-carbothioamide?
You can request a quote for 1H-1,2,4-Triazole-5-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole-5-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-5-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.