Acetic acid, (dimethylamino)thioxo-, ethyl ester
TL;DR: Acetic acid, (dimethylamino)thioxo-, ethyl ester (CAS 16703-48-3) is a chemical compound with molecular formula C6H11NO2S and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(dimethylamino)-2-sulfanylideneacetate
Also Known As: ethyl 2-(dimethylamino)-2-sulfanylideneacetate, Acetic acid, (dimethylamino)thioxo-, ethyl ester, Ethyl (dimethylamino)(thioxo)acetate #, Oxamic acid, N,N-dimethyl-2-thio-, ethyl ester, 2-(Dimethylamino)-2-thioxoacetic acid ethyl ester
| Molecular Formula | C6H11NO2S |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.05106 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 16703-48-3 |
|---|---|
| SMILES | CCOC(=O)C(=S)N(C)C |
| InChIKey | QUMNSZAJFYSIIL-UHFFFAOYSA-N |
Product Overview
Acetic acid, (dimethylamino)thioxo-, ethyl ester (CAS 16703-48-3), with molecular formula C6H11NO2S and molecular weight 161.05 g/mol. IUPAC: ethyl 2-(dimethylamino)-2-sulfanylideneacetate.
Chemical Property Profile of Acetic acid, (dimethylamino)thioxo-, ethyl ester
Property Insights of Acetic acid, (dimethylamino)thioxo-, ethyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (dimethylamino)thioxo-, ethyl ester. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (dimethylamino)thioxo-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, (dimethylamino)thioxo-, ethyl ester has 0 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 Acetic acid, (dimethylamino)thioxo-, ethyl ester?
The CAS number of Acetic acid, (dimethylamino)thioxo-, ethyl ester is 16703-48-3.
What is the molecular formula of Acetic acid, (dimethylamino)thioxo-, ethyl ester?
The molecular formula of Acetic acid, (dimethylamino)thioxo-, ethyl ester is C6H11NO2S.
What is the molecular weight of Acetic acid, (dimethylamino)thioxo-, ethyl ester?
The molecular weight of Acetic acid, (dimethylamino)thioxo-, ethyl ester is 161.05 g/mol.
Where can I buy Acetic acid, (dimethylamino)thioxo-, ethyl ester?
You can request a quote for Acetic acid, (dimethylamino)thioxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (dimethylamino)thioxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (dimethylamino)thioxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.