CAS 1003-04-9|Dihydrothiophen-3(2H)-one|thiolan-3-one|thiolan-3-one|4,5-Dihydro-3(2H)-thiophenone|4,5-二氢-3(2H)-噻吩酮|3-Thiophanone|Tetrahydrothiophen-3-one|四氢噻吩-3-酮|3-噻吩烷酮|Tetrahydrothio...

General Information

Structure

Molecular Formula

C₄H₆OS

Molecular Mass

102.15484

Exact Mass

102.01393581

Charge

InChI

InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2

InChIKey

DSXFPRKPFJRPIB-UHFFFAOYSA-N

Canonic Smiles

O=C1CSCC1

Isomeric Smiles

S1CC(=O)CC1

Calculated Properties

JChem

Acid pKa

17.731915

H Acceptors

H Donor

LogD (pH = 5.5)

0.5544182

LogD (pH = 7.4)

0.5544182

Log P

0.5544182

Molar Refractivity

26.8645

Polarizability

10.513555

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Dihydrothiophen-3(2H)-one4,5-Dihydro-3(2H)-thiophenoneTetrahydrothiophen-3-one3-噻吩烷酮3-Thiophanone4,5-二氢-3(2H)-噻吩酮四氢噻吩-3-酮Tetrahydrothiophen-3-one3-OxotetrahydrothiopheneThiolan-3-one3-OxothiolaneTetrahydrothiophen-3-one4,5-Dihydro-3(2H)-thiophenone四氢噻酚-3-酮thiolan-3-one

IUPAC Traditional name

thiolan-3-one

IUPAC name

thiolan-3-one

Names and Identifiers

Registration numbers

FEMA ID

3266

CAS Number

1003-04-9

EC Number

213-698-9