(4S,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran 7,7-dioxide

C₈H₁₀O₃S₂CAS 147086-81-5218.28 g/mol

Open in Covalent MOL file

Alcohol Sulfide Sulfone

Properties

Molecular formula: C₈H₁₀O₃S₂
Molar mass: 218.28 g/mol
Exact mass: 218.0071 Da
logP: 1.35Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Identifiers

CAS number

147086-81-5

SMILES

C[C@H]1C[C@H](O)c2ccsc2S1(=O)=O

InChIKey

NFUQUGUUAUVBMO-FSPLSTOPSA-N

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

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

4H-Thieno[2,3-B]thiopyran-4-ol, 5,6-dihydro-6-methyl-, 7,7-dioxide, (4S,6S)-
4H-Thieno[2,3-b]thiopyran-4-ol, 5,6-dihydro-6-methyl-, 7,7-dioxide, (4S-trans)-
(4S,6S)-5,6-Dihydro-6-methyl-4H-thieno[2,3-b]thiopyran-4-ol 7,7-dioxide

Work with (4S,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran 7,7-dioxide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

(4R,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxide147128-77-6

Elsewhere

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