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88904-76-1 | Benzene, [(2-phenyl-1-cyclohexen-1-yl)thio]-
CAS No: 88904-76-1 Catalog No: AG004975 MDL No:
Product Description
Catalog Number:
AG004975
Chemical Name:
Benzene, [(2-phenyl-1-cyclohexen-1-yl)thio]-
CAS Number:
88904-76-1
Molecular Formula:
C18H18S
Molecular Weight:
266.4005
IUPAC Name:
(2-phenylcyclohexen-1-yl)sulfanylbenzene
InChI:
InChI=1S/C18H18S/c1-3-9-15(10-4-1)17-13-7-8-14-18(17)19-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChI Key:
BUVCOGLRIBUQHZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)SC1=C(CCCC1)c1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.113g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.402g/mol
Monoisotopic Mass:
266.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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