Chemical Properties of 4H-Thiopyran-4-one (CAS 1003-41-4)

4H-Thiopyran-4-one

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InChI
InChI=1S/C5H4OS/c6-5-1-3-7-4-2-5/h1-4H
InChI Key
VNXUJPCYZSNXDG-UHFFFAOYSA-N
Formula
C5H4OS
SMILES
O=c1ccscc1
Molecular Weight1
112.15
CAS
1003-41-4
Other Names
  • Thiopyran-4-one
  • 1,4-Thiapyrone
  • 4-Thiapyrone
  • 4-Thiopyrone
  • 4H-Thiopyran, 4-oxo-
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Physical Properties

Property Value Unit Source
IE 8.97 ± 0.05 eV NIST
log10WS -0.65 Crippen Calculated Property
logPoct/wat 1.108 Crippen Calculated Property
McVol 79.770 ml/mol McGowan Calculated Property

Similar Compounds

Benzo[c]thiophene. Thiophene. Thieno[2,3-b]thiophene. Naphtho[1,2-c] or [2,3-c]thiophene. Naphtho[1,2-b]thiophene. Phenanthro(3,2-b)thiophene. Triphenyleno[2,3-b]thiophene. Benzo[b]thiophene. Thieno[3,4-b]thiophene. Anthra(2,3-b)thiophene. Naphtho[2,3-b]thiophene. Phenanthro[2,3-b]thiophene. Triphenyleno[1,2-b]thiophene. Anthra(1,2-b)thiophene. Pyreno[1,2]thiophene.

Find more compounds similar to 4H-Thiopyran-4-one.

Sources

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