Chemical Properties of 4(1H)-Pyrimidinone, 2,3-dihydro-2-thioxo-6-(trifluoromethyl)- (CAS 368-54-7)

InChI

InChI=1S/C5H3F3N2OS/c6-5(7,8)2-1-3(11)10-4(12)9-2/h1H,(H2,9,10,11,12)

InChI Key

YZAOETRYQWFEOY-UHFFFAOYSA-N

Formula

C5H3F3N2OS

SMILES

Oc1cc(C(F)(F)F)nc(S)n1

Molecular Weight¹

196.15

CAS

368-54-7

Other Names

• Uracil, 2-thio-6-(trifluoromethyl)-
• 2-Mercapto-6-(trifluoromethyl)pyrimidin-4-ol

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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Similar Compounds

Find more compounds similar to 4(1H)-Pyrimidinone, 2,3-dihydro-2-thioxo-6-(trifluoromethyl)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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