N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea
TL;DR: N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea (CAS 301320-82-1) is a chemical compound with molecular formula C6H9N5S and molecular weight 183.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-prop-2-enyl-3-(1,2,4-triazol-4-yl)thiourea
Also Known As: 3-(prop-2-en-1-yl)-1-(4H-1,2,4-triazol-4-yl)thiourea, N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea, 1-Allyl-3-(4H-1,2,4-triazol-4-yl)thiourea, 1-allyl-3-(1,2,4-triazol-4-yl)thiourea, 1-prop-2-enyl-3-(1,2,4-triazol-4-yl)thiourea
| Molecular Formula | C6H9N5S |
|---|---|
| Molecular Weight | 183.06 g/mol |
| LogP | -0.1179 |
| Topological Polar Surface Area | 54.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.05786 |
| Heavy Atoms | 12 |
| Complexity | 254.91197 |
Chemical Identifiers
| CAS Number | 301320-82-1 |
|---|---|
| SMILES | C=CCNC(=S)NN1C=NN=C1 |
Product Overview
N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea (CAS 301320-82-1), with molecular formula C6H9N5S and molecular weight 183.06 g/mol. IUPAC: 1-prop-2-enyl-3-(1,2,4-triazol-4-yl)thiourea.
Chemical Property Profile of N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea
Property Insights of N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea
The XLogP value of -0.1179 indicates that N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.77 Ų, N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea 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 N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea?
The CAS number of N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea is 301320-82-1.
What is the molecular formula of N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea?
The molecular formula of N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea is C6H9N5S.
What is the molecular weight of N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea?
The molecular weight of N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea is 183.06 g/mol.
Where can I buy N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea?
You can request a quote for N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-allyl-N'-(4H-1,2,4-triazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.