![1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea structure](/static/products/1729/172950-65-1.webp)
1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea
TL;DR: 1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea (CAS 172950-65-1) is a chemical compound with molecular formula C12H15N5S2 and molecular weight 293.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea
Also Known As: 1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea, 1-ethyl-3-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea, 3-ethyl-1-[4-(4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl]thiourea, 4-Methyl-5-[4-(3-ethylthioureido)phenyl]-3,4-dihydro-2H-1,2,4-triazole-3-thione, N-[4-(4,5-Dihydro-4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]-Na(2)-ethylthiourea
| Molecular Formula | C12H15N5S2 |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 2.45099 |
| Topological Polar Surface Area | 57.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.07687 |
| Heavy Atoms | 19 |
| Complexity | 626.31445 |
Chemical Identifiers
| CAS Number | 172950-65-1 |
|---|---|
| SMILES | CCNC(=S)NC1=CC=C(C=C1)C2=NNC(=S)N2C |
Product Overview
1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea (CAS 172950-65-1), with molecular formula C12H15N5S2 and molecular weight 293.08 g/mol. IUPAC: 1-ethyl-3-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]thiourea.
Chemical Property Profile of 1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea
Property Insights of 1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea
The XLogP value of 2.45099 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea. With a topological polar surface area (TPSA) of 57.67 Ų, 1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea has 3 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-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea?
The CAS number of 1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea is 172950-65-1.
What is the molecular formula of 1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea?
The molecular formula of 1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea is C12H15N5S2.
What is the molecular weight of 1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea?
The molecular weight of 1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea is 293.08 g/mol.
Where can I buy 1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea?
You can request a quote for 1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-3-[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.