![1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea structure](/static/products/3510/35101-91-8.webp)
1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea
TL;DR: 1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea (CAS 35101-91-8) is a chemical compound with molecular formula C15H21N5O2S and molecular weight 335.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea
Also Known As: 1-benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea, N-Benzyl-N'-[1-(diethoxymethyl)-1H-1,2,4-triazol-5-yl]thiourea
| Molecular Formula | C15H21N5O2S |
|---|---|
| Molecular Weight | 335.14 g/mol |
| LogP | 2.2938 |
| Topological Polar Surface Area | 73.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 335.1416 |
| Heavy Atoms | 23 |
| Complexity | 598.9245 |
Chemical Identifiers
| CAS Number | 35101-91-8 |
|---|---|
| SMILES | CCOC(N1C(=NC=N1)NC(=S)NCC2=CC=CC=C2)OCC |
Product Overview
1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea (CAS 35101-91-8), with molecular formula C15H21N5O2S and molecular weight 335.14 g/mol. IUPAC: 1-benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea.
Chemical Property Profile of 1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea
Property Insights of 1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea
The XLogP value of 2.2938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea. The TPSA of 73.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea. Following Lipinski's Rule of Five, 1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea has 2 hydrogen bond donor(s) and 5 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-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea?
The CAS number of 1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea is 35101-91-8.
What is the molecular formula of 1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea?
The molecular formula of 1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea is C15H21N5O2S.
What is the molecular weight of 1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea?
The molecular weight of 1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea is 335.14 g/mol.
Where can I buy 1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea?
You can request a quote for 1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-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-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-3-[2-(diethoxymethyl)-1,2,4-triazol-3-yl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.