4,6-Dimethyl-2-(methylthio)pyrimidine

C7H10N2SCAS 14001-64-0154.23 g/mol

Open in Covalent MOL file
SNN
Sulfide

Properties

Molecular formula
C7H10N2S
Molar mass
154.23 g/mol
Exact mass
154.0565 Da
Melting point
24 °C
Boiling point
120–122 °C (at 17 Torr)
logP
1.82Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
14001-64-0
SMILES
CSc1nc(C)cc(C)n1
InChIKey
LMTOWNMJYBIWTI-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2S/c1-5-4-6(2)9-7(8-5)10-3/h4H,1-3H3

Weigh it out

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

Names and synonyms

5 names
  • Pyrimidine, 4,6-dimethyl-2-(methylthio)-
  • 2-(Methylthio)-4,6-dimethylpyrimidine
  • 4,6-Dimethyl-2-methylsulfanylpyrimidine
  • 2-Thiomethyl-4,6-dimethylpyrimidine
  • 4,6-Dimethyl-2-(methylsulfanyl)pyrimidine

Work with 4,6-Dimethyl-2-(methylthio)pyrimidine

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-6-methyl-2-(methylthio)pyrimidine17119-73-269 % similar 4-Methyl-2-(methylthio)pyrimidine14001-63-958 % similar 4,6-Dihydroxy-2-(methylthio)pyrimidine1979-98-252 % similar 4,6-Dichloro-2-(methylthio)pyrimidine6299-25-850 % similar 2-Chloro-4-methyl-6-(methylsulfanyl)pyrimidine89466-59-148 % similar 4,6-Dimethoxy-2-methylthiopyrimidine90905-46-746 % similar 2-Chloro-4,6-dimethylpyrimidine4472-44-046 % similar 2-Hydroxy-4,6-dimethylpyrimidine108-79-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,5,6,7-Tetrahydro-2-benzothiazolamine2933-29-1 2-(Methylthio)-3-ethylpyrazine72987-62-3

Elsewhere

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