N-methyl-1,2,4-triazole-1-carbothioamide
TL;DR: N-methyl-1,2,4-triazole-1-carbothioamide (CAS 35101-78-1) is a chemical compound with molecular formula C4H6N4S and molecular weight 142.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-1,2,4-triazole-1-carbothioamide
Also Known As: N-methyl-1,2,4-triazole-1-carbothioamide, 1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE,N-METHYL-, N-Methyl-1H-1,2,4-triazole-1-carbothioamide
| Molecular Formula | C4H6N4S |
|---|---|
| Molecular Weight | 142.03 g/mol |
| LogP | -0.3695 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.03131 |
| Heavy Atoms | 9 |
| Complexity | 192.34238 |
Chemical Identifiers
| CAS Number | 35101-78-1 |
|---|---|
| SMILES | CNC(=S)N1C=NC=N1 |
Product Overview
N-methyl-1,2,4-triazole-1-carbothioamide (CAS 35101-78-1), with molecular formula C4H6N4S and molecular weight 142.03 g/mol. IUPAC: N-methyl-1,2,4-triazole-1-carbothioamide.
Chemical Property Profile of N-methyl-1,2,4-triazole-1-carbothioamide
Property Insights of N-methyl-1,2,4-triazole-1-carbothioamide
The XLogP value of -0.3695 indicates that N-methyl-1,2,4-triazole-1-carbothioamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 42.74 Ų, N-methyl-1,2,4-triazole-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-1,2,4-triazole-1-carbothioamide has 1 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 N-methyl-1,2,4-triazole-1-carbothioamide?
The CAS number of N-methyl-1,2,4-triazole-1-carbothioamide is 35101-78-1.
What is the molecular formula of N-methyl-1,2,4-triazole-1-carbothioamide?
The molecular formula of N-methyl-1,2,4-triazole-1-carbothioamide is C4H6N4S.
What is the molecular weight of N-methyl-1,2,4-triazole-1-carbothioamide?
The molecular weight of N-methyl-1,2,4-triazole-1-carbothioamide is 142.03 g/mol.
Where can I buy N-methyl-1,2,4-triazole-1-carbothioamide?
You can request a quote for 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 N-methyl-1,2,4-triazole-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-1,2,4-triazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.