2-Chloro-4-methylsulfanyl-pyrimidine

C₅H₅ClN₂SCAS 49844-93-1160.62 g/mol

Open in Covalent MOL file

Aryl halide Sulfide

Properties

Molecular formula: C₅H₅ClN₂S
Molar mass: 160.62 g/mol
Exact mass: 159.9862 Da
logP: 1.85Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

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

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

49844-93-1

SMILES

CSC1=NC(=NC=C1)Cl

InChIKey

VAATWVRXPRDPPM-UHFFFAOYSA-N

InChI

InChI=1S/C5H5ClN2S/c1-9-4-2-3-7-5(6)8-4/h2-3H,1H3

Weigh it out

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

Names and synonyms

1 names

2-Chloro-4-(methylthio)pyrimidine

Work with 2-Chloro-4-methylsulfanyl-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

2-Chloro-4-methylpyrimidine13036-57-248 % similar 2-Chloro-4-methyl-6-(methylsulfanyl)pyrimidine89466-59-147 % similar 2,4-Dichloropyrimidine3934-20-146 % similar 2-Chloro-4-methoxypyrimidine22536-63-644 % similar 2-(Methylthio)pyridine18438-38-543 % similar 4-Amino-2-chloropyrimidine7461-50-943 % similar 4-Methyl-2-(methylthio)pyrimidine14001-63-941 % similar 2-(Methylthio)pyrimidin-4-amine2183-66-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-2-(methylthio)pyrimidine49844-90-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook