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13153-06-5 | Butane, 2-[(1-methylpropyl)sulfinyl]-
CAS No: 13153-06-5 Catalog No: AG000ZBV MDL No:
Product Description
Catalog Number:
AG000ZBV
Chemical Name:
Butane, 2-[(1-methylpropyl)sulfinyl]-
CAS Number:
13153-06-5
Molecular Formula:
C8H18OS
Molecular Weight:
162.2929
IUPAC Name:
2-butan-2-ylsulfinylbutane
InChI:
InChI=1S/C8H18OS/c1-5-7(3)10(9)8(4)6-2/h7-8H,5-6H2,1-4H3
InChI Key:
PARCUCWFQOWGFX-UHFFFAOYSA-N
SMILES:
CCC(S(=O)C(CC)C)C
Properties
Complexity:
99.8
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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