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

C8H10O3S2CAS 147128-77-6218.28 g/mol

Open in Covalent MOL file
OHSSOO
AlcoholSulfone

Properties

Molecular formula
C8H10O3S2
Molar mass
218.28 g/mol
Exact mass
218.0071 Da
Melting point
154–155 °C
logP
1.35Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0
Stereocentres
S, Rin SMILES atom order

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
147128-77-6
SMILES
C[C@H]1C[C@@H](O)c2ccsc2S1(=O)=O
InChIKey
NFUQUGUUAUVBMO-CAHLUQPWSA-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

3 names
  • 4H-Thieno[2,3-B]thiopyran-4-ol, 5,6-dihydro-6-methyl-, 7,7-dioxide, (4R,6S)-
  • 4H-Thieno[2,3-b]thiopyran-4-ol, 5,6-dihydro-6-methyl-, 7,7-dioxide, (4R-cis)-
  • (4R,6S)-6-Methyl-7,7-dioxo-5,6-dihydro-4H-thieno(2,3-b)thiopyran-4-ol

Work with (4R,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.

(4S,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran 7,7-dioxide147086-81-5Diastereomer

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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