ethyl N-(dimethylcarbamothioyl)carbamate
TL;DR: ethyl N-(dimethylcarbamothioyl)carbamate (CAS 40398-21-8) is a chemical compound with molecular formula C6H12N2O2S and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(dimethylcarbamothioyl)carbamate
Also Known As: ethyl N-(dimethylcarbamothioyl)carbamate, N,N-dimethyl-N'-ethoxycarbonyl-thiourea
| Molecular Formula | C6H12N2O2S |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 0.579 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.06195 |
| Heavy Atoms | 11 |
| Complexity | 158.66127 |
Chemical Identifiers
| CAS Number | 40398-21-8 |
|---|---|
| SMILES | CCOC(=O)NC(=S)N(C)C |
Product Overview
ethyl N-(dimethylcarbamothioyl)carbamate (CAS 40398-21-8), with molecular formula C6H12N2O2S and molecular weight 176.06 g/mol. IUPAC: ethyl N-(dimethylcarbamothioyl)carbamate.
Chemical Property Profile of ethyl N-(dimethylcarbamothioyl)carbamate
Property Insights of ethyl N-(dimethylcarbamothioyl)carbamate
The XLogP value of 0.579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(dimethylcarbamothioyl)carbamate. With a topological polar surface area (TPSA) of 41.57 Ų, ethyl N-(dimethylcarbamothioyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl N-(dimethylcarbamothioyl)carbamate has 1 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 ethyl N-(dimethylcarbamothioyl)carbamate?
The CAS number of ethyl N-(dimethylcarbamothioyl)carbamate is 40398-21-8.
What is the molecular formula of ethyl N-(dimethylcarbamothioyl)carbamate?
The molecular formula of ethyl N-(dimethylcarbamothioyl)carbamate is C6H12N2O2S.
What is the molecular weight of ethyl N-(dimethylcarbamothioyl)carbamate?
The molecular weight of ethyl N-(dimethylcarbamothioyl)carbamate is 176.06 g/mol.
Where can I buy ethyl N-(dimethylcarbamothioyl)carbamate?
You can request a quote for ethyl N-(dimethylcarbamothioyl)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-(dimethylcarbamothioyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(dimethylcarbamothioyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.