Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester
TL;DR: Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester (CAS 73930-96-8) is a chemical compound with molecular formula C9H16N2O3S and molecular weight 232.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(carbamothioylcarbamoyl)-2-ethylbutanoate
Also Known As: methyl 2-(carbamothioylcarbamoyl)-2-ethylbutanoate, J1.586.586E, Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester, 2-(Thioureidocarbonyl)-2-ethylbutanoic acid methyl ester, METHYL 2-[(CARBAMOTHIOYLAMINO)CARBONYL]-2-ETHYLBUTANOATE
| Molecular Formula | C9H16N2O3S |
|---|---|
| Molecular Weight | 232.09 g/mol |
| LogP | 0.3256 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.08817 |
| Heavy Atoms | 15 |
| Complexity | 274.53104 |
Chemical Identifiers
| CAS Number | 73930-96-8 |
|---|---|
| SMILES | CCC(CC)(C(=O)NC(=S)N)C(=O)OC |
Product Overview
Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester (CAS 73930-96-8), with molecular formula C9H16N2O3S and molecular weight 232.09 g/mol. IUPAC: methyl 2-(carbamothioylcarbamoyl)-2-ethylbutanoate.
Chemical Property Profile of Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester
Property Insights of Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester
The XLogP value of 0.3256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester. Following Lipinski's Rule of Five, Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester has 2 hydrogen bond donor(s) and 4 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 Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester?
The CAS number of Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester is 73930-96-8.
What is the molecular formula of Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester?
The molecular formula of Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester is C9H16N2O3S.
What is the molecular weight of Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester?
The molecular weight of Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester is 232.09 g/mol.
Where can I buy Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester?
You can request a quote for Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-(((aminothioxomethyl)amino)carbonyl)-2-ethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.