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139224-79-6 | Benzene, 1,1'-[(3-phenyl-2-propenylidene)bis(thio)]bis-
CAS No: 139224-79-6 Catalog No: AG001AIU MDL No:
Product Description
Catalog Number:
AG001AIU
Chemical Name:
Benzene, 1,1'-[(3-phenyl-2-propenylidene)bis(thio)]bis-
CAS Number:
139224-79-6
Molecular Formula:
C21H18S2
Molecular Weight:
334.4976
IUPAC Name:
3,3-bis(phenylsulfanyl)prop-1-enylbenzene
InChI:
InChI=1S/C21H18S2/c1-4-10-18(11-5-1)16-17-21(22-19-12-6-2-7-13-19)23-20-14-8-3-9-15-20/h1-17,21H
InChI Key:
BGWYDPLKWGLKRQ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C=CC(Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.085g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.495g/mol
Monoisotopic Mass:
334.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.9
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