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13153-10-1 | Benzene, (butylsulfinyl)-
CAS No: 13153-10-1 Catalog No: AG000ZCX MDL No:
Product Description
Catalog Number:
AG000ZCX
Chemical Name:
Benzene, (butylsulfinyl)-
CAS Number:
13153-10-1
Molecular Formula:
C10H14OS
Molecular Weight:
182.2826
IUPAC Name:
butylsulfinylbenzene
InChI:
InChI=1S/C10H14OS/c1-2-3-9-12(11)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChI Key:
IMRHEMHQODDESO-UHFFFAOYSA-N
SMILES:
CCCCS(=O)c1ccccc1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.281g/mol
Monoisotopic Mass:
182.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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