chempirical

2-(Methylthio)-4-pyrimidinecarboxaldehyde

C6H6N2OSCAS 1074-68-6154.19 g/mol

Open in Covalent MOL file
SNON
AldehydeSulfide

Properties

Molecular formula
C6H6N2OS
Molar mass
154.19 g/mol
Exact mass
154.0201 Da
Melting point
68 °C
Boiling point
110–112 °C
logP
1.01Crippen estimate
Polar surface area
42.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
1074-68-6
SMILES
CSc1nccc(C=O)n1
InChIKey
QGJXHPACBLAFFJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2OS/c1-10-6-7-3-2-5(4-9)8-6/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 4-Pyrimidinecarboxaldehyde, 2-(methylthio)-
  • 2-Methylthiopyrimidine-4-carboxaldehyde
  • 4-Formyl-2-methylthiopyrimidine
  • 2-Methylsulfanylpyrimidine-4-carboxaldehyde
  • 2-Methylsulfanylpyrimidine-4-carbaldehyde
  • 2-(Methylsulfanyl)pyrimidine-4-carbaldehyde
  • 2-(Methylthio)pyrimidine-4-carbaldehyde

Work with 2-(Methylthio)-4-pyrimidinecarboxaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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