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15717-54-1 | Benzene, 1-methyl-4-[[(1Z)-2-(phenylthio)ethenyl]sulfonyl]-
CAS No: 15717-54-1 Catalog No: AG001P9L MDL No:
Product Description
Catalog Number:
AG001P9L
Chemical Name:
Benzene, 1-methyl-4-[[(1Z)-2-(phenylthio)ethenyl]sulfonyl]-
CAS Number:
15717-54-1
Molecular Formula:
C15H14O2S2
Molecular Weight:
290.4005
IUPAC Name:
1-methyl-4-(2-phenylsulfanylethenylsulfonyl)benzene
InChI:
InChI=1S/C15H14O2S2/c1-13-7-9-15(10-8-13)19(16,17)12-11-18-14-5-3-2-4-6-14/h2-12H,1H3
InChI Key:
ATZQCVPKFGPQET-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)/C=C\Sc1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.395g/mol
Monoisotopic Mass:
290.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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