1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea
TL;DR: 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea (CAS 21731-99-7) 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.
1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea
Also Known As: 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea, N-methyl-N'-(1,2,4-triazol-5-yl)thiourea, 3-methyl-1-(4H-1,2,4-triazol-3-yl)thiourea, N-Methyl-N'-(1H-1,2,4-triazol-5-yl)thiourea
| Molecular Formula | C4H7N5S |
|---|---|
| Molecular Weight | 157.04 g/mol |
| LogP | -0.2791 |
| Topological Polar Surface Area | 65.63 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.04222 |
| Heavy Atoms | 10 |
| Complexity | 205.43234 |
Chemical Identifiers
| CAS Number | 21731-99-7 |
|---|---|
| SMILES | CNC(=S)NC1=NC=NN1 |
Product Overview
1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea (CAS 21731-99-7), with molecular formula C4H7N5S and molecular weight 157.04 g/mol. IUPAC: 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea.
Chemical Property Profile of 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea
Property Insights of 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea
The XLogP value of -0.2791 indicates that 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea. Following Lipinski's Rule of Five, 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea has 3 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 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea?
The CAS number of 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea is 21731-99-7.
What is the molecular formula of 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea?
The molecular formula of 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea is C4H7N5S.
What is the molecular weight of 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea?
The molecular weight of 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea is 157.04 g/mol.
Where can I buy 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea?
You can request a quote for 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-(1H-1,2,4-triazol-5-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.