2-Butenethioamide, 2-cyano-3-ethoxy-
TL;DR: 2-Butenethioamide, 2-cyano-3-ethoxy- (CAS 116595-42-7) is a chemical compound with molecular formula C7H10N2OS and molecular weight 170.05139 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-ethoxybut-2-enethioamide
Also Known As: 2-cyano-3-ethoxybut-2-enethioamide, 2-Butenethioamide, 2-cyano-3-ethoxy-, (E)-2-cyano-3-ethoxybut-2-enethioamide, 2-cyano-3-ethoxythiocrotonamide, (2E)-2-Cyano-3-ethoxybut-2-enethioamide
Technical Specifications
| Molecular Formula | C7H10N2OS |
| Molecular Weight | 170.05139 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 91.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.05139 Da |
| Heavy Atoms | 11 |
| Complexity | 236.0 |
| SMILES | CCO/C(=C(\C#N)/C(=S)N)/C |
| InChIKey | QRQWVBSLABMWFN-AATRIKPKSA-N |
Chemical Property Profile of 2-Butenethioamide, 2-cyano-3-ethoxy-
Property Insights of 2-Butenethioamide, 2-cyano-3-ethoxy-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenethioamide, 2-cyano-3-ethoxy-. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butenethioamide, 2-cyano-3-ethoxy-. Following Lipinski's Rule of Five, 2-Butenethioamide, 2-cyano-3-ethoxy- 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
What is the CAS number of 2-Butenethioamide, 2-cyano-3-ethoxy-?
The CAS number of 2-Butenethioamide, 2-cyano-3-ethoxy- is 116595-42-7.
What is the molecular formula of 2-Butenethioamide, 2-cyano-3-ethoxy-?
The molecular formula of 2-Butenethioamide, 2-cyano-3-ethoxy- is C7H10N2OS.
What is the molecular weight of 2-Butenethioamide, 2-cyano-3-ethoxy-?
The molecular weight of 2-Butenethioamide, 2-cyano-3-ethoxy- is 170.05139 g/mol.
Where can I buy 2-Butenethioamide, 2-cyano-3-ethoxy-?
You can request a quote for 2-Butenethioamide, 2-cyano-3-ethoxy- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butenethioamide, 2-cyano-3-ethoxy-?
Yes, CoreyChem provides custom synthesis services for 2-Butenethioamide, 2-cyano-3-ethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.