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Home Other Building Blocks 2-Pentanone, 4-methyl-4-(methylthio)-

2-Pentanone, 4-methyl-4-(methylthio)-

CAS No.:
23550-40-5
Catalog Number:
AG002NNJ
Molecular Formula:
C7H14OS
Molecular Weight:
146.2505
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Product Description
Catalog Number:
AG002NNJ
Chemical Name:
2-Pentanone, 4-methyl-4-(methylthio)-
CAS Number:
23550-40-5
Molecular Formula:
C7H14OS
Molecular Weight:
146.2505
MDL Number:
MFCD00049253
IUPAC Name:
4-methyl-4-methylsulfanylpentan-2-one
InChI:
InChI=1S/C7H14OS/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3
InChI Key:
DHANVOSHQILVNQ-UHFFFAOYSA-N
SMILES:
CSC(CC(=O)C)(C)C
EC Number:
245-727-6
UNII:
G69HK72Q3Y
FEMA Number:
3376
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.077g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.248g/mol
Monoisotopic Mass:
146.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Optimization of ultrasound assisted-emulsification-dispersive liquid-liquid microextraction by experimental design methodologies for the determination of sulfur compounds in wines by gas chromatography-mass spectrometry. Analytica chimica acta 20101217
Properties