CAS
898791-39-4 Purity
96%
898791-39-4 Purity
96%
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Cyclopentyl 2-thiomethylphenyl ketone
CAS
898791-42-9
Catalog Number
ACM898791429
Category
Other Products
Molecular Weight
220.33
Molecular Formula
C13H16OS
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Specification
Synonyms
CYCLOPENTYL 2-THIOMETHYLPHENYL KETONE
IUPAC Name
cyclopentyl-(2-methylsulfanylphenyl)methanone
InChI Key
DRUWRPTVXGETEY-UHFFFAOYSA-N
Boiling Point
337.1ºC at 760 mmHg
Flash Point
170.2ºC
Density
1.11g/cm³
Exact Mass
220.09200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Cyclopentyl 2-thiomethylphenyl ketone?
The molecular formula of Cyclopentyl 2-thiomethylphenyl ketone is C13H16OS.
When was Cyclopentyl 2-thiomethylphenyl ketone first created and modified?
Cyclopentyl 2-thiomethylphenyl ketone was first created on 2008-02-29 and last modified on 2023-12-30.
What is the IUPAC name of Cyclopentyl 2-thiomethylphenyl ketone?
The IUPAC name of Cyclopentyl 2-thiomethylphenyl ketone is cyclopentyl-(2-methylsulfanylphenyl)methanone.
What is the InChI key of Cyclopentyl 2-thiomethylphenyl ketone?
The InChI key of Cyclopentyl 2-thiomethylphenyl ketone is DRUWRPTVXGETEY-UHFFFAOYSA-N.
What is the Canonical SMILES representation of Cyclopentyl 2-thiomethylphenyl ketone?
The Canonical SMILES representation of Cyclopentyl 2-thiomethylphenyl ketone is CSC1=CC=CC=C1C(=O)C2CCCC2.
What is the molecular weight of Cyclopentyl 2-thiomethylphenyl ketone?
The molecular weight of Cyclopentyl 2-thiomethylphenyl ketone is 220.33 g/mol.
What is the CAS number of Cyclopentyl 2-thiomethylphenyl ketone?
The CAS number of Cyclopentyl 2-thiomethylphenyl ketone is 898791-42-9.
What is the XLogP3-AA value of Cyclopentyl 2-thiomethylphenyl ketone?
The XLogP3-AA value of Cyclopentyl 2-thiomethylphenyl ketone is 3.7.
How many hydrogen bond acceptors are there in Cyclopentyl 2-thiomethylphenyl ketone?
There are 2 hydrogen bond acceptors in Cyclopentyl 2-thiomethylphenyl ketone.
Is the compound Canonicalized according to the PubChem data?
Yes, the compound is Canonicalized according to PubChem.
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