Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl-
TL;DR: Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl- (CAS 5102-33-0) is a chemical compound with molecular formula C10H11N5S and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylphenyl)-3-(1,2,4-triazol-4-yl)thiourea
Also Known As: Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl-, 1-(o-tolyl)-3-(1,2,4-triazol-4-yl)thiourea, 1-(o-tolyl)-3-(4H-1,2,4-triazol-4-yl)thiourea, 1-(2-methylphenyl)-3-(1,2,4-triazol-4-yl)thiourea, 1-(2-methylphenyl)-3-(4H-1,2,4-triazol-4-yl)thiourea
| Molecular Formula | C10H11N5S |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 1.52702 |
| Topological Polar Surface Area | 54.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.07352 |
| Heavy Atoms | 16 |
| Complexity | 479.71442 |
Chemical Identifiers
| CAS Number | 5102-33-0 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=S)NN2C=NN=C2 |
Product Overview
Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl- (CAS 5102-33-0), with molecular formula C10H11N5S and molecular weight 233.07 g/mol. IUPAC: 1-(2-methylphenyl)-3-(1,2,4-triazol-4-yl)thiourea.
Chemical Property Profile of Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl-
Property Insights of Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl-
The XLogP value of 1.52702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl-. With a topological polar surface area (TPSA) of 54.77 Ų, Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl- 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 Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl-?
The CAS number of Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl- is 5102-33-0.
What is the molecular formula of Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl-?
The molecular formula of Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl- is C10H11N5S.
What is the molecular weight of Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl-?
The molecular weight of Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl- is 233.07 g/mol.
Where can I buy Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl-?
You can request a quote for Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl-?
Yes, KEHONG BIO provides custom synthesis services for Thiourea, N-(2-methylphenyl)-N'-4H-1,2,4-triazol-4-yl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.