Name: Name:(1,1-Dioxidotetrahydrothiopyran-4-yl)methyl 4-Methylbenzenesulfonate
Brand: Angene
SKU: AG003BEM
Rating: 90 (10 reviews)

(1,1-Dioxidotetrahydrothiopyran-4-yl)methyl 4-Methylbenzenesulfonate

CAS No.:

928149-12-6

Catalog Number:

AG003BEM

Molecular Formula:

C13H18O5S2

Molecular Weight:

318.4090

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

Complexity:

490

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

318.06g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

318.402g/mol

Monoisotopic Mass:

318.06g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6