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139371-51-0 | 1H-Indene, 2-phenyl-1,3-bis(phenylthio)-
CAS No: 139371-51-0 Catalog No: AG001AVK MDL No:
Product Description
Catalog Number:
AG001AVK
Chemical Name:
1H-Indene, 2-phenyl-1,3-bis(phenylthio)-
CAS Number:
139371-51-0
Molecular Formula:
C27H20S2
Molecular Weight:
408.5777
IUPAC Name:
2-phenyl-1,3-bis(phenylsulfanyl)-1H-indene
InChI:
InChI=1S/C27H20S2/c1-4-12-20(13-5-1)25-26(28-21-14-6-2-7-15-21)23-18-10-11-19-24(23)27(25)29-22-16-8-3-9-17-22/h1-19,26H
InChI Key:
CQYXECJPCVSFKX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)SC1C(=C(c2c1cccc2)Sc1ccccc1)c1ccccc1
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.101g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.577g/mol
Monoisotopic Mass:
408.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.5
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