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113881-70-2 | Benzene, [[1-methylene-2-(phenylsulfonyl)-4-penten-1-yl]thio]-
CAS No: 113881-70-2 Catalog No: AG0009YP MDL No:
Product Description
Catalog Number:
AG0009YP
Chemical Name:
Benzene, [[1-methylene-2-(phenylsulfonyl)-4-penten-1-yl]thio]-
CAS Number:
113881-70-2
Molecular Formula:
C18H18O2S2
Molecular Weight:
330.4643
IUPAC Name:
3-(benzenesulfonyl)hexa-1,5-dien-2-ylsulfanylbenzene
InChI:
InChI=1S/C18H18O2S2/c1-3-10-18(15(2)21-16-11-6-4-7-12-16)22(19,20)17-13-8-5-9-14-17/h3-9,11-14,18H,1-2,10H2
InChI Key:
IDMLUASYGLYQSC-UHFFFAOYSA-N
SMILES:
C=CCC(S(=O)(=O)c1ccccc1)C(=C)Sc1ccccc1
NSC Number:
612213
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.46g/mol
Monoisotopic Mass:
330.075g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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