2-(Methylthio)-5-pyrimidinecarbaldehyde

C6H6N2OSCAS 90905-31-0154.19 g/mol

Open in Covalent MOL file
SNNO
AldehydeSulfide

Properties

Molecular formula
C6H6N2OS
Molar mass
154.19 g/mol
Exact mass
154.0201 Da
logP
1.01Crippen estimate
Polar surface area
42.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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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-Chloropyrimidine-5-carbaldehyde933702-55-750 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook