chempirical

4-[(4,6-Dimethylpyrimidin-2-yl)thio]phenol

C12H12N2OSCAS 107718-34-3232.30 g/mol

Open in Covalent MOL file
NNSHO
PhenolSulfide

Properties

Molecular formula
C12H12N2OS
Molar mass
232.30 g/mol
Exact mass
232.0670 Da
logP
2.95Crippen estimate
Polar surface area
46.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
107718-34-3
SMILES
CC1=CC(=NC(=N1)SC2=CC=C(C=C2)O)C
InChIKey
FBCAKJCKGFHPEQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2OS/c1-8-7-9(2)14-12(13-8)16-11-5-3-10(15)4-6-11/h3-7,15H,1-2H3

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Work with 4-[(4,6-Dimethylpyrimidin-2-yl)thio]phenol

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

4,4′-Thiodiphenol2664-63-350 % similar 4,6-Dimethyl-2-(methylthio)pyrimidine14001-64-044 % similar 2-Hydroxy-4,6-dimethylpyrimidine108-79-242 % similar 4-Hydroxy-6-methyl-2(1H)-pyridinone3749-51-741 % similar 4-(Methylthio)phenol1073-72-941 % similar 5-Hydroxy-2-methylpyridine1121-78-438 % similar 2-Hydroxy-4,6-dimethylpyrimidine hydrochloride34289-60-638 % similar 6,6′-Dithiobis[2-naphthalenol]6088-51-337 % similar

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

Elsewhere

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