chempirical

4,6-Dimethyl-2-mercaptopyrimidine

C6H8N2SCAS 22325-27-5140.20 g/mol

Open in Covalent MOL file
NHSN
Thiol

Properties

Molecular formula
C6H8N2S
Molar mass
140.20 g/mol
Exact mass
140.0408 Da
Melting point
208–210 °C
logP
1.38Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
22325-27-5
SMILES
Cc1cc(C)nc(S)n1
InChIKey
RAFAYWADRVMWFA-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2S/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)

Weigh it out

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

Names and synonyms

12 names
  • 2(1H)-Pyrimidinethione, 4,6-dimethyl-
  • 2-Pyrimidinethiol, 4,6-dimethyl-
  • 4,6-Dimethyl-2(1H)-pyrimidinethione
  • 1,2-Dihydro-4,6-dimethylpyrimidine-2-thione
  • 4,6-Dimethyl-2-pyrimidinethiol
  • 2-Mercapto-4,6-dimethylpyrimidine
  • 4,6-Dimethyl-2-pyrimidinethione
  • 4,6-Dimethyl-2-pyrimidinylmercaptan
  • NSC 15491
  • NSC 314273
  • NSC 314274
  • 2-Thio-4,6-dimethylpyrimidine

Work with 4,6-Dimethyl-2-mercaptopyrimidine

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

Methylthiouracil56-04-267 % similar 2-Chloro-4,6-dimethylpyrimidine4472-44-050 % similar 2-Hydroxy-4,6-dimethylpyrimidine108-79-248 % similar 2-Mercapto-4-methylpyrimidine hydrochloride6959-66-646 % similar 2,4,6-Trimethylpyridine108-75-845 % similar Trithiocyanuric acid638-16-444 % similar 4,6-Dimethyl-2-(methylthio)pyrimidine14001-64-044 % similar 2-Hydroxy-4,6-dimethylpyrimidine hydrochloride34289-60-642 % similar

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

Same formula

3,3′-Thiodipropionitrile111-97-7 4-Methyl-2-(methylthio)pyrimidine14001-63-9 2-Methyl-3-(methylthio)pyrazine2882-20-4 Pyrazineethanethiol35250-53-4

Elsewhere

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