(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 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
Stereocentres: S, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 26 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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

Weigh it out

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

Names and synonyms

4 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
5,6-Dihydro-6-methyl-4H-thieno(2,3-b)thiopyran-4-ol 7,7-dioxide, (4S,6S)-

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

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

Similar compounds

Acetamide, N-(5,6-dihydro-6-methyl-7,7-dioxido-4H-thieno[2,3-b]thiopyran-4-yl)-, (4S-trans)-147086-83-757 % similar Dorzolamide120279-96-133 % similar N-[(4S,6S)-2-(Aminosulfonyl)-5,6-dihydro-6-methyl-7,7-dioxido-4H-thieno[2,3-b]thiopyran-4-yl]acetamide147200-03-133 % similar Dorzolamide hydrochloride130693-82-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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