Ethanethioamide, 2-cyano-2-cyclohexylidene-
TL;DR: Ethanethioamide, 2-cyano-2-cyclohexylidene- (CAS 129224-53-9) is a chemical compound with molecular formula C9H12N2S and molecular weight 180.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-2-cyclohexylideneethanethioamide
Also Known As: 2-cyano-2-cyclohexylideneethanethioamide, Ethanethioamide, 2-cyano-2-cyclohexylidene-, cyclohexylidenecyanothioacetamide, Cyano(cyclohexylidene)ethanethioamide, 2-Cyano-2-cyclohexylidenethioacetamide
| Molecular Formula | C9H12N2S |
|---|---|
| Molecular Weight | 180.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 81.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.07211 |
| Heavy Atoms | 12 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 129224-53-9 |
|---|---|
| SMILES | C1CCC(=C(C#N)C(=S)N)CC1 |
| InChIKey | ZWPSRIGCBBYTDD-UHFFFAOYSA-N |
Product Overview
Ethanethioamide, 2-cyano-2-cyclohexylidene- (CAS 129224-53-9), with molecular formula C9H12N2S and molecular weight 180.07 g/mol. IUPAC: 2-cyano-2-cyclohexylideneethanethioamide.
Chemical Property Profile of Ethanethioamide, 2-cyano-2-cyclohexylidene-
Property Insights of Ethanethioamide, 2-cyano-2-cyclohexylidene-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanethioamide, 2-cyano-2-cyclohexylidene-. The TPSA of 81.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanethioamide, 2-cyano-2-cyclohexylidene-. Following Lipinski's Rule of Five, Ethanethioamide, 2-cyano-2-cyclohexylidene- has 1 hydrogen bond donor(s) and 2 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 Ethanethioamide, 2-cyano-2-cyclohexylidene-?
The CAS number of Ethanethioamide, 2-cyano-2-cyclohexylidene- is 129224-53-9.
What is the molecular formula of Ethanethioamide, 2-cyano-2-cyclohexylidene-?
The molecular formula of Ethanethioamide, 2-cyano-2-cyclohexylidene- is C9H12N2S.
What is the molecular weight of Ethanethioamide, 2-cyano-2-cyclohexylidene-?
The molecular weight of Ethanethioamide, 2-cyano-2-cyclohexylidene- is 180.07 g/mol.
Where can I buy Ethanethioamide, 2-cyano-2-cyclohexylidene-?
You can request a quote for Ethanethioamide, 2-cyano-2-cyclohexylidene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioamide, 2-cyano-2-cyclohexylidene-?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioamide, 2-cyano-2-cyclohexylidene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.