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102488-95-9 | Benzene, 1,1'-[(3-methylbutylidene)bis(thio)]bis-
CAS No: 102488-95-9 Catalog No: AG0007JU MDL No:
Product Description
Catalog Number:
AG0007JU
Chemical Name:
Benzene, 1,1'-[(3-methylbutylidene)bis(thio)]bis-
CAS Number:
102488-95-9
Molecular Formula:
C17H20S2
Molecular Weight:
288.4707
IUPAC Name:
(3-methyl-1-phenylsulfanylbutyl)sulfanylbenzene
InChI:
InChI=1S/C17H20S2/c1-14(2)13-17(18-15-9-5-3-6-10-15)19-16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3
InChI Key:
WXJRTKTZCMHMCB-UHFFFAOYSA-N
SMILES:
CC(CC(Sc1ccccc1)Sc1ccccc1)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.467g/mol
Monoisotopic Mass:
288.101g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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