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2-(Benzylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid
[CAS# 93185-33-2]

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Identification
Name 2-(Benzylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid
Synonyms 2-(benzylthio)-4-hydroxy-5-pyrimidinecarboxylic acid; 2-(benzylthio)-4-hydroxypyrimidine-5-carboxylic acid; 4-hydroxy-2-(phenylmethylthio)pyrimidine-5-carboxylic acid
Molecular Structure CAS#: 93185-33-2, 2-(Benzylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarboxylic acid
Molecular Formula C12H10N2O3S
Molecular Weight 262.28
CAS Registry Number 93185-33-2
SMILES c1ccc(cc1)CSc2ncc(c(n2)O)C(=O)O
InChI 1S/C12H10N2O3S/c15-10-9(11(16)17)6-13-12(14-10)18-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17)(H,13,14,15)
InChIKey FZQGMHMSZJMNOX-UHFFFAOYSA-N
Properties
Density 1.5±0.1g/cm3 (Cal.)
Boiling point 502.5±45.0°C at 760 mmHg (Cal.)
Flash point 257.7±28.7°C (Cal.)
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