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89588-00-1 | Ethanesulfonothioic acid, S-(tetrahydro-2,5-dioxo-3-furanyl) ester
CAS No: 89588-00-1 Catalog No: AG003Z3L MDL No:
Product Description
Catalog Number:
AG003Z3L
Chemical Name:
Ethanesulfonothioic acid, S-(tetrahydro-2,5-dioxo-3-furanyl) ester
CAS Number:
89588-00-1
Molecular Formula:
C6H8O5S2
Molecular Weight:
224.2547
IUPAC Name:
3-ethylsulfonylsulfanyloxolane-2,5-dione
InChI:
InChI=1S/C6H8O5S2/c1-2-13(9,10)12-4-3-5(7)11-6(4)8/h4H,2-3H2,1H3
InChI Key:
JWDTWODLAHGRSN-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)SC1CC(=O)OC1=O
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.981g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.245g/mol
Monoisotopic Mass:
223.981g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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