Tetrahydrothiopyran-3-one

C₅H₈OSCAS 19090-03-0116.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₈OS
Molar mass: 116.18 g/mol
Exact mass: 116.0296 Da
Boiling point: 80 °C (at 4 Torr)
logP: 1.08Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor50% of notifiers

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

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

19090-03-0

SMILES

O=C1CCCSC1

InChIKey

ATAMXDLUUTYFKT-UHFFFAOYSA-N

InChI

InChI=1S/C5H8OS/c6-5-2-1-3-7-4-5/h1-4H2

Weigh it out

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

Names and synonyms

6 names

2H-Thiopyran-3(4H)-one, dihydro-
Dihydro-2H-thiopyran-3(4H)-one
3-Thiacyclohexanone
1-Thiacyclohexan-3-one
3-Oxotetrahydrothiopyran
3-Oxothiacyclohexane

Work with Tetrahydrothiopyran-3-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

Tetrahydrothiophen-3-one1003-04-970 % similar 3-Thietanone22131-92-650 % similar Cyclobutanone1191-95-345 % similar Cyclopentanone120-92-345 % similar Cyclohexanone108-94-143 % similar Cyclodecanone1502-06-343 % similar Cycloheptanone502-42-143 % similar Cyclooctanone502-49-843 % similar

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

Same formula

Tetrahydrothiopyran-4-one1072-72-6 Dihydro-2-methyl-3(2H)-thiophenone13679-85-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook