3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate
TL;DR: 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate (CAS 274691-67-7) is a chemical compound with molecular formula C14H14N2OS2 and molecular weight 290.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[3-(4-ethylphenyl)-3-oxoprop-1-enyl]sulfanyl-methylsulfanylmethylidene]cyanamide
Also Known As: 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate, [[3-(4-ethylphenyl)-3-oxoprop-1-enyl]sulfanyl-methylsulfanylmethylidene]cyanamide
| Molecular Formula | C14H14N2OS2 |
|---|---|
| Molecular Weight | 290.05 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.05475 |
| Heavy Atoms | 19 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 274691-67-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)C=CSC(=NC#N)SC |
| InChIKey | JDJNBYJPAUAYGT-UHFFFAOYSA-N |
Product Overview
3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate (CAS 274691-67-7), with molecular formula C14H14N2OS2 and molecular weight 290.05 g/mol. IUPAC: [[3-(4-ethylphenyl)-3-oxoprop-1-enyl]sulfanyl-methylsulfanylmethylidene]cyanamide.
Chemical Property Profile of 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate
Property Insights of 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate
The XLogP value of 4.2 indicates that 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate. Following Lipinski's Rule of Five, 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate has 0 hydrogen bond donor(s) and 5 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 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate?
The CAS number of 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate is 274691-67-7.
What is the molecular formula of 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate?
The molecular formula of 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate is C14H14N2OS2.
What is the molecular weight of 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate?
The molecular weight of 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate is 290.05 g/mol.
Where can I buy 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate?
You can request a quote for 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Ethylphenyl)-3-oxoprop-1-en-1-yl methyl cyanocarbonodithioimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.