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16841-55-7 | Butane, 1-(ethenylsulfinyl)-
CAS No: 16841-55-7 Catalog No: AG001Y28 MDL No:
Product Description
Catalog Number:
AG001Y28
Chemical Name:
Butane, 1-(ethenylsulfinyl)-
CAS Number:
16841-55-7
Molecular Formula:
C6H12OS
Molecular Weight:
132.2239
IUPAC Name:
1-ethenylsulfinylbutane
InChI:
InChI=1S/C6H12OS/c1-3-5-6-8(7)4-2/h4H,2-3,5-6H2,1H3
InChI Key:
KLWAGMFJBPADPJ-UHFFFAOYSA-N
SMILES:
CCCCS(=O)C=C
Properties
Complexity:
88.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.061g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.221g/mol
Monoisotopic Mass:
132.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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