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102058-98-0 | Benzene, 1,1'-[[1,2-bis(methylene)-1,2-ethanediyl]bis(thio)]bis-
CAS No: 102058-98-0 Catalog No: AG0006GU MDL No:
Product Description
Catalog Number:
AG0006GU
Chemical Name:
Benzene, 1,1'-[[1,2-bis(methylene)-1,2-ethanediyl]bis(thio)]bis-
CAS Number:
102058-98-0
Molecular Formula:
C16H14S2
Molecular Weight:
270.4124
IUPAC Name:
3-phenylsulfanylbuta-1,3-dien-2-ylsulfanylbenzene
InChI:
InChI=1S/C16H14S2/c1-13(17-15-9-5-3-6-10-15)14(2)18-16-11-7-4-8-12-16/h3-12H,1-2H2
InChI Key:
PQZKGLSKLMZGSV-UHFFFAOYSA-N
SMILES:
C=C(C(=C)Sc1ccccc1)Sc1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.408g/mol
Monoisotopic Mass:
270.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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