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

C₈H₈OS₂CAS 147086-79-1184.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈OS₂
Molar mass: 184.27 g/mol
Exact mass: 184.0017 Da
logP: 2.82Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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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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