chempirical

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

C8H8OS2CAS 147086-79-1184.27 g/mol

Open in Covalent MOL file
OSS
KetoneSulfide

Properties

Molecular formula
C8H8OS2
Molar mass
184.27 g/mol
Exact mass
184.0017 Da
logP
2.82Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
147086-79-1
SMILES
C[C@H]1CC(=O)C2=C(S1)SC=C2
InChIKey
FLJFMDYYNMNASJ-YFKPBYRVSA-N
InChI
InChI=1S/C8H8OS2/c1-5-4-7(9)6-2-3-10-8(6)11-5/h2-3,5H,4H2,1H3/t5-/m0/s1

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Names and synonyms

1 names
  • 4H-Thieno[2,3-B]thiopyran-4-one,5,6-dihydro-6-methyl-, (6S)

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

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

Similar compounds

4,5,6,7-Tetrahydro-4-oxothionaphthene13414-95-436 % similar 3-Methylindan-1-one6072-57-736 % similar (±)-3-Phenyl-1-indanone16618-72-732 % similar 4H-Cyclopenta[2,1-B:3,4-B']dithiophen-4-one25796-77-432 % similar Benzo[1,2-B:4,5-B']dithiophene-4,8-dione32281-36-032 % similar 1-(2-Thienyl)-1-propanone13679-75-930 % similar 6-Fluoro-2-methyl-4-chromanone88754-96-530 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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