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113400-64-9 | Benzenethiol, 2-butoxy-4-(1,1,3,3-tetramethylbutyl)-
CAS No: 113400-64-9 Catalog No: AG0008FO MDL No:
Product Description
Catalog Number:
AG0008FO
Chemical Name:
Benzenethiol, 2-butoxy-4-(1,1,3,3-tetramethylbutyl)-
CAS Number:
113400-64-9
Molecular Formula:
C18H30OS
Molecular Weight:
294.4952
IUPAC Name:
2-butoxy-4-(2,4,4-trimethylpentan-2-yl)benzenethiol
InChI:
InChI=1S/C18H30OS/c1-7-8-11-19-15-12-14(9-10-16(15)20)18(5,6)13-17(2,3)4/h9-10,12,20H,7-8,11,13H2,1-6H3
InChI Key:
AUTGFUGPLQAWJC-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(ccc1S)C(CC(C)(C)C)(C)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.202g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.497g/mol
Monoisotopic Mass:
294.202g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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