N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea
TL;DR: N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea (CAS 5102-47-6) is a chemical compound with molecular formula C9H15N5S and molecular weight 225.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-3-(1,2,4-triazol-4-yl)thiourea
Also Known As: N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea, 1-cyclohexyl-3-(1,2,4-triazol-4-yl)thiourea, N-Cyclohexyl-Na(2)-4H-1,2,4-triazol-4-ylthiourea
| Molecular Formula | C9H15N5S |
|---|---|
| Molecular Weight | 225.10 g/mol |
| LogP | 1.0288 |
| Topological Polar Surface Area | 54.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.10481 |
| Heavy Atoms | 15 |
| Complexity | 304.3124 |
Chemical Identifiers
| CAS Number | 5102-47-6 |
|---|---|
| SMILES | C1CCC(CC1)NC(=S)NN2C=NN=C2 |
Product Overview
N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea (CAS 5102-47-6), with molecular formula C9H15N5S and molecular weight 225.10 g/mol. IUPAC: 1-cyclohexyl-3-(1,2,4-triazol-4-yl)thiourea.
Chemical Property Profile of N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea
Property Insights of N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea
The XLogP value of 1.0288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea. With a topological polar surface area (TPSA) of 54.77 Ų, N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea 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-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea?
The CAS number of N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea is 5102-47-6.
What is the molecular formula of N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea?
The molecular formula of N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea is C9H15N5S.
What is the molecular weight of N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea?
The molecular weight of N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea is 225.10 g/mol.
Where can I buy N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea?
You can request a quote for N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea?
Yes, KEHONG BIO provides custom synthesis services for N-Cyclohexyl-N'-4H-1,2,4-triazol-4-ylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.