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123359-03-5 | Benzene, 1-[(2-ethylhexyl)thio]-4-methyl-
CAS No: 123359-03-5 Catalog No: AG000KFT MDL No:
Product Description
Catalog Number:
AG000KFT
Chemical Name:
Benzene, 1-[(2-ethylhexyl)thio]-4-methyl-
CAS Number:
123359-03-5
Molecular Formula:
C15H24S
Molecular Weight:
236.4161
IUPAC Name:
1-(2-ethylhexylsulfanyl)-4-methylbenzene
InChI:
InChI=1S/C15H24S/c1-4-6-7-14(5-2)12-16-15-10-8-13(3)9-11-15/h8-11,14H,4-7,12H2,1-3H3
InChI Key:
AQPPCPXRCKWORW-UHFFFAOYSA-N
SMILES:
CCCCC(CSc1ccc(cc1)C)CC
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.16g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.417g/mol
Monoisotopic Mass:
236.16g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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