The molecular formula of the compound is C13H16OS2.
What are the synonyms of the compound?
The synonyms of the compound are 96185-17-0, 1-(4-ethyl-phenyl)-3,3-bis-methylsulfanyl-propenone, DTXSID60700675, and 1-(4-ethylphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one.
What is the molecular weight of the compound?
The molecular weight of the compound is 252.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-(4-ethylphenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CCC1=CC=C(C=C1)C(=O)C=C(SC)SC.
What is the InChIKey of the compound?
The InChIKey of the compound is CFGYNKFBAIHKFO-UHFFFAOYSA-N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.9.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 5 rotatable bond counts.
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