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13153-04-3 | Butane, 1-[(1,1-dimethylethyl)sulfinyl]-
CAS No: 13153-04-3 Catalog No: AG000ZBW MDL No:
Product Description
Catalog Number:
AG000ZBW
Chemical Name:
Butane, 1-[(1,1-dimethylethyl)sulfinyl]-
CAS Number:
13153-04-3
Molecular Formula:
C8H18OS
Molecular Weight:
162.2929
IUPAC Name:
1-tert-butylsulfinylbutane
InChI:
InChI=1S/C8H18OS/c1-5-6-7-10(9)8(2,3)4/h5-7H2,1-4H3
InChI Key:
DGBVQXCCEZOOKY-UHFFFAOYSA-N
SMILES:
CCCCS(=O)C(C)(C)C
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.108g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.291g/mol
Monoisotopic Mass:
162.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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 |
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