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(2S,4R)-4-hydroxy-2-methyl-2H,3H,4H-1??-thieno[2,3-b]thiopyran-1,1-dione

(2S,4R)-4-hydroxy-2-methyl-2H,3H,4H-1??-thieno[2,3-b]thiopyran-1,1-dione

CAS: 147128-77-6

Formula: C8H10O3S2

SMILES: C[C@H]1C[C@@H](O)C2=C(SC=C2)S1(=O)=O

IUPAC: (2S,4R)-4-hydroxy-2-methyl-2H,3H,4H-1??-thieno[2,3-b]thiopyran-1,1-dione

InChI: InChI=1S/C8H10O3S2/c1-5-4-7(9)6-2-3-12-8(6)13(5,10)11/h2-3,5,7,9H,4H2,1H3/t5-,7+/m0/s1

Composition: C (44.02%), H (4.62%), O (21.99%), S (29.37%)

Molar Mass: 218.29

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 218.00713653
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NFUQUGUUAUVBMO-CAHLUQPWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.96
Topological Polar Surface Area 54.37
Polarizability 20.5
Ring Count 2
Rotatable Bond Count 0

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