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

C8H10O2SCAS 37918-35-7170.23 g/mol

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OOS
KetoneSulfide

Properties

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

Hazards

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

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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

Reactions

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

Bicyclo[3.3.1]nonane-2,6-dione16473-11-343 % similar 2-Bromo-1-cyclopropylethan-1-one69267-75-036 % similar 2-Ethylcyclopentane-1,3-dione823-36-936 % similar 2-Methylcyclopentanone1120-72-533 % similar 2-tert-Butylcyclohexanone1728-46-733 % similar 2-Bromocyclopentanone21943-50-033 % similar 2-Chlorocyclopentanone694-28-033 % similar 2-Methyl-1,3-cyclopentanedione765-69-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dimethoxythiophenol1483-27-8 Alpha-(Methylsulphonyl)toluene3112-90-1 Methyl p-tolyl sulfone3185-99-7 2-Thiophenebutanoic acid4653-11-6 Ethyl 2-thienylacetate57382-97-5 Furfuryl thiopropionate59020-85-8 p-Tolyl methyl sulfone59203-01-9 (Ethylsulphonyl)benzene599-70-2

Elsewhere

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