ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate
TL;DR: ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate (CAS 34683-38-0) is a chemical compound with molecular formula C6H9N5O2S and molecular weight 215.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate
Also Known As: ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate, N-(1,2,4-triazol-5-yl)-N'-carbethoxythiourea, Ethyl [(1H-1,2,4-triazol-5-yl)carbamothioyl]carbamate, Ethyl n-(2h-1,2,4-triazol-3-ylthiocarbamoyl)carbamate, RefChem:344901
| Molecular Formula | C6H9N5O2S |
|---|---|
| Molecular Weight | 215.05 g/mol |
| LogP | 0.2476 |
| Topological Polar Surface Area | 91.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.0477 |
| Heavy Atoms | 14 |
| Complexity | 312.0316 |
Chemical Identifiers
| CAS Number | 34683-38-0 |
|---|---|
| SMILES | CCOC(=O)NC(=S)NC1=NC=NN1 |
Product Overview
ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate (CAS 34683-38-0), with molecular formula C6H9N5O2S and molecular weight 215.05 g/mol. IUPAC: ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate.
Chemical Property Profile of ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate
Property Insights of ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate
The XLogP value of 0.2476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate. The TPSA of 91.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate. Following Lipinski's Rule of Five, ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate has 3 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 ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate?
The CAS number of ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate is 34683-38-0.
What is the molecular formula of ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate?
The molecular formula of ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate is C6H9N5O2S.
What is the molecular weight of ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate?
The molecular weight of ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate is 215.05 g/mol.
Where can I buy ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate?
You can request a quote for ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(1H-1,2,4-triazol-5-ylcarbamothioyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.