chempirical

2-Mercapto-4-methylpyrimidine hydrochloride

C5H7ClN2SCAS 6959-66-6162.64 g/mol

Open in Covalent MOL file
NSHNHCl
Thiol

Properties

Molecular formula
C5H7ClN2S
Molar mass
162.64 g/mol
Exact mass
162.0018 Da
Melting point
259 °C
logP
1.50Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
6959-66-6
SMILES
Cc1ccnc(S)n1.Cl
InChIKey
UQJLPBLXSJWAKG-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2S.ClH/c1-4-2-3-6-5(8)7-4;/h2-3H,1H3,(H,6,7,8);1H

Weigh it out

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

Names and synonyms

8 names
  • 2(1H)-Pyrimidinethione, 4-methyl-, hydrochloride (1:1)
  • 2-Pyrimidinethiol, 4-methyl-, monohydrochloride
  • 2(1H)-Pyrimidinethione, 4-methyl-, monohydrochloride
  • 2-Pyrimidinethiol, 4-methyl-, hydrochloride
  • 4-Methyl-2-pyrimidinethiol hydrochloride
  • 2-Mercapto-4-methylpyrimidinium chloride
  • 4-Methyl-2(1H)-pyrimidinethione hydrochloride
  • 2-Mercapto-4-methylpyrimidine monohydrochloride

Work with 2-Mercapto-4-methylpyrimidine hydrochloride

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-Methyl-2-pyrimidinol monohydrochloride5348-51-655 % similar 2-Thiouracil141-90-250 % similar 2,4-Dithiouracil2001-93-650 % similar 2-Chloro-4-methylpyrimidine13036-57-247 % similar 4,6-Dimethyl-2-mercaptopyrimidine22325-27-546 % similar 2-Bromo-4-methylpyrimidine130645-48-645 % similar 4-Methyl-2-(methylthio)pyrimidine14001-63-944 % similar Methylthiouracil56-04-242 % similar

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

Elsewhere

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