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2976-99-0 | Butane, 1-(ethylsulfinyl)-
CAS No: 2976-99-0 Catalog No: AG002ZBK MDL No:
Product Description
Catalog Number:
AG002ZBK
Chemical Name:
Butane, 1-(ethylsulfinyl)-
CAS Number:
2976-99-0
Molecular Formula:
C6H14OS
Molecular Weight:
134.2398
IUPAC Name:
1-ethylsulfinylbutane
InChI:
InChI=1S/C6H14OS/c1-3-5-6-8(7)4-2/h3-6H2,1-2H3
InChI Key:
CYDQHOZLSSXJKU-UHFFFAOYSA-N
SMILES:
CCCCS(=O)CC
Properties
Complexity:
70.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.077g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.237g/mol
Monoisotopic Mass:
134.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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