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85895-63-2 | Benzene, 1,1'-[[4-(1,1-dimethylethyl)cyclohexylidene]bis(thio)]bis-
CAS No: 85895-63-2 Catalog No: AG004NHQ MDL No:
Product Description
Catalog Number:
AG004NHQ
Chemical Name:
Benzene, 1,1'-[[4-(1,1-dimethylethyl)cyclohexylidene]bis(thio)]bis-
CAS Number:
85895-63-2
Molecular Formula:
C22H28S2
Molecular Weight:
356.5877
IUPAC Name:
(4-tert-butyl-1-phenylsulfanylcyclohexyl)sulfanylbenzene
InChI:
InChI=1S/C22H28S2/c1-21(2,3)18-14-16-22(17-15-18,23-19-10-6-4-7-11-19)24-20-12-8-5-9-13-20/h4-13,18H,14-17H2,1-3H3
InChI Key:
NWJGNNNKHAGUNM-UHFFFAOYSA-N
SMILES:
CC(C1CCC(CC1)(Sc1ccccc1)Sc1ccccc1)(C)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.586g/mol
Monoisotopic Mass:
356.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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