4-Methyl-2-(methylthio)pyrimidine

C₆H₈N₂SCAS 14001-63-9140.20 g/mol

Open in Covalent MOL file

Sulfide

Properties

Molecular formula: C₆H₈N₂S
Molar mass: 140.20 g/mol
Exact mass: 140.0408 Da
Boiling point: 78–80 °C (at 1 Torr)
logP: 1.51Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed90.9% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage90.9% of notifiers
H335 May cause respiratory irritation90.9% of notifiers

Aggregated from 44 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14001-63-9

SMILES

CSc1nccc(C)n1

InChIKey

UCERVHYBSTYCQS-UHFFFAOYSA-N

InChI

InChI=1S/C6H8N2S/c1-5-3-4-7-6(8-5)9-2/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

4 names

Pyrimidine, 4-methyl-2-(methylthio)-
2-Methylthio-4-methylpyrimidine
4-Methyl-2-methylsulfanylpyrimidine
4-Methyl-2-(methylsulfanyl)pyrimidine

Work with 4-Methyl-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

4,6-Dimethyl-2-(methylthio)pyrimidine14001-64-058 % similar 4-Chloro-2-(methylthio)pyrimidine49844-90-857 % similar 2-(Methylthio)pyrimidin-4-amine2183-66-655 % similar 2-(Methylthio)-4(3H)-pyrimidinone5751-20-255 % similar 2-(Methylthio)-4-pyrimidinecarboxaldehyde1074-68-650 % similar 2-Chloro-4-methylpyrimidine13036-57-250 % similar 2-Bromo-4-methylpyrimidine130645-48-648 % similar 1-[2-(Methylsulfanyl)pyrimidin-4-yl]ethan-1-one496863-48-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,3′-Thiodipropionitrile111-97-7 4,6-Dimethyl-2-mercaptopyrimidine22325-27-5 2-Methyl-3-(methylthio)pyrazine2882-20-4 Pyrazineethanethiol35250-53-4 Methyl(methylthio)pyrazine67952-65-2

Elsewhere

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