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137496-78-7 | Benzene, [[(1E)-2-methoxy-3-(phenylsulfonyl)-1-propen-1-yl]thio]-
CAS No: 137496-78-7 Catalog No: AG0013DF MDL No:
Product Description
Catalog Number:
AG0013DF
Chemical Name:
Benzene, [[(1E)-2-methoxy-3-(phenylsulfonyl)-1-propen-1-yl]thio]-
CAS Number:
137496-78-7
Molecular Formula:
C16H16O3S2
Molecular Weight:
320.4264
IUPAC Name:
[3-(benzenesulfonyl)-2-methoxyprop-1-enyl]sulfanylbenzene
InChI:
InChI=1S/C16H16O3S2/c1-19-14(12-20-15-8-4-2-5-9-15)13-21(17,18)16-10-6-3-7-11-16/h2-12H,13H2,1H3
InChI Key:
SPSRAKPBWMVMMY-UHFFFAOYSA-N
SMILES:
CO/C(=C/Sc1ccccc1)/CS(=O)(=O)c1ccccc1
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.054g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.421g/mol
Monoisotopic Mass:
320.054g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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