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89005-28-7

89005-28-7 | Benzene, 1,1'-[(cyclohexylideneethylidene)bis(thio)]bis-

CAS No: 89005-28-7 Catalog No: AG00461S MDL No:

Product Description

Catalog Number:
AG00461S
Chemical Name:
Benzene, 1,1'-[(cyclohexylideneethylidene)bis(thio)]bis-
CAS Number:
89005-28-7
Molecular Formula:
C20H22S2
Molecular Weight:
326.5187
IUPAC Name:
(2-cyclohexylidene-1-phenylsulfanylethyl)sulfanylbenzene
InChI:
InChI=1S/C20H22S2/c1-4-10-17(11-5-1)16-20(21-18-12-6-2-7-13-18)22-19-14-8-3-9-15-19/h2-3,6-9,12-16,20H,1,4-5,10-11H2
InChI Key:
GPCIRTOGKJFOCB-UHFFFAOYSA-N
SMILES:
C1CCC(=CC(Sc2ccccc2)Sc2ccccc2)CC1

Properties

Complexity:
310  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.116g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.516g/mol
Monoisotopic Mass:
326.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8  

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