2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)-
TL;DR: 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)- (CAS 52118-16-8) is a chemical compound with molecular formula C7H11NO2S and molecular weight 173.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3-(dimethylamino)-3-sulfanylideneprop-1-enyl] acetate
Also Known As: -3- -N,N-dimethyl-2-propenethioamide, (E)-3-(Acetyloxy)-N,N-dimethyl-2-propenethioamide, 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)-, (1E)-2-(dimethylcarbamothioyl)eth-1-en-1-yl acetate, (1Z)-3-(Dimethylamino)-3-thioxo-1-propenyl acetate
| Molecular Formula | C7H11NO2S |
|---|---|
| Molecular Weight | 173.05 g/mol |
| LogP | 0.9522 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.05106 |
| Heavy Atoms | 11 |
| Complexity | 186.8796 |
Chemical Identifiers
| CAS Number | 52118-16-8 |
|---|---|
| SMILES | CC(=O)O/C=C/C(=S)N(C)C |
Product Overview
2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)- (CAS 52118-16-8), with molecular formula C7H11NO2S and molecular weight 173.05 g/mol. IUPAC: [(E)-3-(dimethylamino)-3-sulfanylideneprop-1-enyl] acetate.
Chemical Property Profile of 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)-
Property Insights of 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)-
The XLogP value of 0.9522 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)-. With a topological polar surface area (TPSA) of 29.54 Ų, 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)- 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 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)-?
The CAS number of 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)- is 52118-16-8.
What is the molecular formula of 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)-?
The molecular formula of 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)- is C7H11NO2S.
What is the molecular weight of 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)-?
The molecular weight of 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)- is 173.05 g/mol.
Where can I buy 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)-?
You can request a quote for 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenethioamide, 3-(acetyloxy)-N,N-dimethyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.