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88142-12-5 | Benzene, [2-methyl-1-[(phenylmethyl)thio]propyl]-
CAS No: 88142-12-5 Catalog No: AG004GD7 MDL No:
Product Description
Catalog Number:
AG004GD7
Chemical Name:
Benzene, [2-methyl-1-[(phenylmethyl)thio]propyl]-
CAS Number:
88142-12-5
Molecular Formula:
C17H20S
Molecular Weight:
256.4057
IUPAC Name:
(1-benzylsulfanyl-2-methylpropyl)benzene
InChI:
InChI=1S/C17H20S/c1-14(2)17(16-11-7-4-8-12-16)18-13-15-9-5-3-6-10-15/h3-12,14,17H,13H2,1-2H3
InChI Key:
ANNHZRAJVYQKNG-UHFFFAOYSA-N
SMILES:
CC(C(c1ccccc1)SCc1ccccc1)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.129g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.407g/mol
Monoisotopic Mass:
256.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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