1-(2,3-Dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea
TL;DR: 1-(2,3-Dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea (CAS 482592-72-3) is a chemical compound with molecular formula C11H13N5S and molecular weight 247.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea
Also Known As: UPCMLD0ENAT0512-9169:001, 1-(2,3-dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea, 1-(2,3-dimethylphenyl)-3-(4H-1,2,4-triazol-4-yl)thiourea, N-(2,3-dimethylphenyl)-N'-4H-1,2,4-triazol-4-ylthiourea, A3351/0142218
| Molecular Formula | C11H13N5S |
|---|---|
| Molecular Weight | 247.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.08917 |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 482592-72-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=S)NN2C=NN=C2)C |
| InChIKey | DGLKJFBTPQRYSX-UHFFFAOYSA-N |
Product Overview
1-(2,3-Dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea (CAS 482592-72-3), with molecular formula C11H13N5S and molecular weight 247.09 g/mol. IUPAC: 1-(2,3-dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea.
Chemical Property Profile of 1-(2,3-Dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea
Property Insights of 1-(2,3-Dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3-Dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea. Following Lipinski's Rule of Five, 1-(2,3-Dimethylphenyl)-3-(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 1-(2,3-Dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea?
The CAS number of 1-(2,3-Dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea is 482592-72-3.
What is the molecular formula of 1-(2,3-Dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea?
The molecular formula of 1-(2,3-Dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea is C11H13N5S.
What is the molecular weight of 1-(2,3-Dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea?
The molecular weight of 1-(2,3-Dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea is 247.09 g/mol.
Where can I buy 1-(2,3-Dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea?
You can request a quote for 1-(2,3-Dimethylphenyl)-3-(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 1-(2,3-Dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dimethylphenyl)-3-(1,2,4-triazol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.