Home Other Building Blocks Propane, 2-methyl-2-(methylsulfinyl)-

Propane, 2-methyl-2-(methylsulfinyl)-

CAS No.:
14094-11-2
Catalog Number:
AG001FNY
Molecular Formula:
C5H12OS
Molecular Weight:
120.2132
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Product Description
Catalog Number:
AG001FNY
Chemical Name:
Propane, 2-methyl-2-(methylsulfinyl)-
CAS Number:
14094-11-2
Molecular Formula:
C5H12OS
Molecular Weight:
120.2132
MDL Number:
MFCD00041528
IUPAC Name:
2-methyl-2-methylsulfinylpropane
InChI:
InChI=1S/C5H12OS/c1-5(2,3)7(4)6/h1-4H3
InChI Key:
YPRPSRLQZMDWFO-UHFFFAOYSA-N
SMILES:
CS(=O)C(C)(C)C
Properties
Complexity:
80.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.061g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.21g/mol
Monoisotopic Mass:
120.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
Absolute configuration, predominant conformations, and vibrational circular dichroism spectra of enantiomers of n-butyl tert-butyl sulfoxide. The Journal of organic chemistry 20010223
Properties