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928149-12-6 | (1,1-Dioxidotetrahydrothiopyran-4-yl)methyl 4-Methylbenzenesulfonate
CAS No: 928149-12-6 Catalog No: AG003BEM MDL No:MFCD27986817
Product Description
Catalog Number:
AG003BEM
Chemical Name:
(1,1-Dioxidotetrahydrothiopyran-4-yl)methyl 4-Methylbenzenesulfonate
CAS Number:
928149-12-6
Molecular Formula:
C13H18O5S2
Molecular Weight:
318.4090
MDL Number:
MFCD27986817
IUPAC Name:
(1,1-dioxothian-4-yl)methyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C13H18O5S2/c1-11-2-4-13(5-3-11)20(16,17)18-10-12-6-8-19(14,15)9-7-12/h2-5,12H,6-10H2,1H3
InChI Key:
GXGVEFJXZNTKAU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCC1CCS(=O)(=O)CC1
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.06g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.402g/mol
Monoisotopic Mass:
318.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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