chempirical

1,1-Dioxo-tetrahydro-thiopyran-4-one

C5H8O3SCAS 17396-35-9148.18 g/mol

Open in Covalent MOL file
SOOO
KetoneSulfone

Properties

Molecular formula
C5H8O3S
Molar mass
148.18 g/mol
Exact mass
148.0194 Da
logP
-0.24Crippen estimate
Polar surface area
51.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
17396-35-9
SMILES
C1CS(=O)(=O)CCC1=O
InChIKey
XFMQGQAAHOGFQS-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O3S/c6-5-1-3-9(7,8)4-2-5/h1-4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1,1-Dioxo-tetrahydro-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

1,4-Cyclohexanedione637-88-747 % similar Cyclobutanone1191-95-342 % similar Cyclopentanone120-92-342 % similar Sulfolane126-33-042 % similar Cyclohexanone108-94-140 % similar Cyclodecanone1502-06-340 % similar Cycloheptanone502-42-140 % similar Cyclooctanone502-49-840 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook