Chemical Properties of 2H-Thiopyran-3(4H)-one (CAS 29431-28-5)

2H-Thiopyran-3(4H)-one

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InChI
InChI=1S/C5H6OS/c6-5-2-1-3-7-4-5/h1,3H,2,4H2
InChI Key
AEDFDYYPESUHNU-UHFFFAOYSA-N
Formula
C5H6OS
SMILES
O=C1CC=CSC1
Molecular Weight1
114.17
CAS
29431-28-5
Other Names
  • Thiopyran-3(2H)-one
Sources

Physical Properties

Property Value Unit Source
Δf -29.39 kJ/mol Joback Calculated Property
Δfgas -106.53 kJ/mol Joback Calculated Property
Δfus 3.86 kJ/mol Joback Calculated Property
Δvap 37.81 kJ/mol Joback Calculated Property
logPoct/wat 1.21 Crippen Calculated Property
Pc 5138.68 kPa Joback Calculated Property
Tboil 452.83 K Joback Calculated Property
Tc 703.24 K Joback Calculated Property
Tfus 310.16 K Joback Calculated Property
Vc 0.29 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 150.54 J/mol×K 452.83 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>C=O (ring) 1
-CH2- (ring) 2
-S- (ring) 1
=CH- (ring) 2

Similar Compounds

2H-Thiopyran, 3,4-dihydro-. Thiocyclohex-3-ene, 4-methylene. Thiophene, 2-formyl-2,3-dihydro-. 2-Methyl-3,4-dihydro-2H-thiopyran. Thiocyclohex-3-ene, 4-ethylidene. 5-Methyl-3(2H)-dihydrothiophenone. 4-Hydroxy-5-methyl-3(2H)thiophenone. 4,5-dehydro-2-methylthiacyclopentane. Thiocyclohex-3-ene, 4-propylidene. Dihydro-3-(2H)-thiophenone. 2H-Thiopyran-3(4H)-one, dihydro-. 1-(1-Propenylthio)propane. 1-Butene, 1-(ethylthio)-, (Z)-. (E) 1-Ethylthio-1-butene. 2,4-Bis(butylthio)but-2-enal.

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