9-Thiabicyclo(3.3.1)nonane-2,6-dione

C₈H₁₀O₂SCAS 37918-35-7170.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₀O₂S
Molar mass: 170.23 g/mol
Exact mass: 170.0402 Da
logP: 1.18Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0

Identifiers

CAS number

37918-35-7

SMILES

C1CC(=O)C2CCC(=O)C1S2

InChIKey

ZFSYGTMUGOONON-UHFFFAOYSA-N

InChI

InChI=1S/C8H10O2S/c9-5-1-3-7-6(10)2-4-8(5)11-7/h7-8H,1-4H2

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Names and synonyms

1 names

9-Thiabicyclo[3.3.1]nonane-2,6-dione

Work with 9-Thiabicyclo(3.3.1)nonane-2,6-dione

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

2-Ethyl-1,3-cyclopentanedione823-36-936 % similar 2-tert-Butylcyclohexanone1728-46-733 % similar 2-Chlorocyclopentanone694-28-033 % similar Dihydro-2-methyl-3(2H)-thiophenone13679-85-132 % similar 2-Cyclopentylcyclopentanone4884-24-632 % similar 2-Methylcyclohexanone583-60-832 % similar 2-Bromocyclohexanone822-85-532 % similar 2-Cyclohexylcyclohexanone90-42-631 % similar

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

Same formula

2,5-Dimethoxythiophenol1483-27-8 [(Methylsulfonyl)methyl]benzene3112-90-1 Methyl P-tolyl sulfone3185-99-7 2-Thiophenebutanoic acid4653-11-6 Ethyl 2-thienylacetate57382-97-5 S-(2-Furanylmethyl) propanethioate59020-85-8 (Ethylsulfonyl)benzene599-70-2

Elsewhere

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