CAS
96184-42-8 Purity
96%
96184-42-8 Purity
96%
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1-(4-Ethyl-phenyl)-3,3-bis-methylsulfanyl-propenone
CAS
96185-17-0
Catalog Number
ACM96185170
Category
Other Products
Molecular Weight
253.40348
Molecular Formula
C13H17OS2
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Specification
Synonyms
1-(4-ETHYL-PHENYL)-3,3-BIS-METHYLSULFANYL-PROPENONE
What is the molecular formula of the compound?
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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