2-(Methylthio)-4-pyrimidinecarboxaldehyde

C6H6N2OSCAS 1074-68-6154.19 g/mol

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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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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

Similar compounds

4-Methyl-2-(methylthio)pyrimidine14001-63-950 % similar 4-Chloro-2-(methylthio)pyrimidine49844-90-850 % similar 4-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde148256-82-049 % similar 2-(Methylthio)pyrimidin-4-amine2183-66-648 % similar 2-(Methylthio)-4(3H)-pyrimidinone5751-20-248 % similar 4-Amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde770-31-047 % similar Pyrimidine-4-carboxaldehyde2435-50-947 % similar 1-[2-(Methylsulfanyl)pyrimidin-4-yl]ethan-1-one496863-48-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Methylthio)-5-pyrimidinecarbaldehyde90905-31-0

Elsewhere

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