2-(Methylthio)-5-pyrimidinecarbaldehyde

C₆H₆N₂OSCAS 90905-31-0154.19 g/mol

Open in Covalent MOL file

Aldehyde Sulfide

Properties

Molecular formula: C₆H₆N₂OS
Molar mass: 154.19 g/mol
Exact mass: 154.0201 Da
logP: 1.01Crippen estimate
Polar surface area: 42.9 Å²
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. Search the SDS library

Identifiers

CAS number

90905-31-0

SMILES

CSC1=NC=C(C=N1)C=O

InChIKey

OERITKQWELOJBM-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2OS/c1-10-6-7-2-5(4-9)3-8-6/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

2-Methylsulfanyl-pyrimidine-5-carbaldehyde

Work with 2-(Methylthio)-5-pyrimidinecarbaldehyde

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chloro-2-(methylthio)pyrimidine-5-carboxaldehyde148256-82-053 % similar 4-Amino-2-(methylsulfanyl)pyrimidine-5-carbaldehyde770-31-051 % similar 2-Methoxy-pyrimidine-5-carbaldehyde90905-32-150 % similar 2-Aminopyrimidine-5-carbaldehyde120747-84-448 % similar 5-Bromo-2-(methylsulfanyl)pyrimidine14001-67-348 % similar 4-(Methylthio)benzaldehyde3446-89-747 % similar 6-Methyl-3-pyridinecarboxaldehyde53014-84-944 % similar 2,2'-Bipyridyl-5,5'-dialdehyde135822-72-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-(Methylthio)-4-pyrimidinecarboxaldehyde1074-68-6

Elsewhere

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