![1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea structure](/static/products/6653/66533-44-6.webp)
1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea
TL;DR: 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea (CAS 66533-44-6) is a chemical compound with molecular formula C8H16N6S and molecular weight 228.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea
Also Known As: 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea, Thiourea, N-[4-(5-amino-1H-1,2,4-triazol-3-yl)butyl]-N'-methyl-, 1,2,4-Triazol-5-amine, 3-[4-(3-methylthioureido)butyl]-, 3-[4-(3-methylthioureido)butyl]-1H-1,2,4-triazol-5-amine, 1-(4-(5-amino-1H-1,2,4-triazol-3-yl)butyl)-3-methylthiourea
| Molecular Formula | C8H16N6S |
|---|---|
| Molecular Weight | 228.12 g/mol |
| LogP | -0.1965 |
| Topological Polar Surface Area | 91.65 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.11572 |
| Heavy Atoms | 15 |
| Complexity | 309.83548 |
Chemical Identifiers
| CAS Number | 66533-44-6 |
|---|---|
| SMILES | CNC(=S)NCCCCC1=NC(=NN1)N |
Product Overview
1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea (CAS 66533-44-6), with molecular formula C8H16N6S and molecular weight 228.12 g/mol. IUPAC: 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea.
Chemical Property Profile of 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea
Property Insights of 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea
The XLogP value of -0.1965 indicates that 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea. Following Lipinski's Rule of Five, 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea has 4 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 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea?
The CAS number of 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea is 66533-44-6.
What is the molecular formula of 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea?
The molecular formula of 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea is C8H16N6S.
What is the molecular weight of 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea?
The molecular weight of 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea is 228.12 g/mol.
Where can I buy 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea?
You can request a quote for 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(3-amino-1H-1,2,4-triazol-5-yl)butyl]-3-methylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.