chempirical

4,6-Dichloro-5-nitro-2-(propylthio)pyrimidine

C7H7Cl2N3O2SCAS 145783-14-8268.11 g/mol

Open in Covalent MOL file
SNClN+OO−ClN
Aryl halideNitroSulfide

Properties

Molecular formula
C7H7Cl2N3O2S
Molar mass
268.11 g/mol
Exact mass
266.9636 Da
logP
3.19Crippen estimate
Polar surface area
68.9 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
145783-14-8
SMILES
CCCSc1nc(Cl)c([N+](=O)[O-])c(Cl)n1
InChIKey
DDEDQHVHVPJFAC-UHFFFAOYSA-N
InChI
InChI=1S/C7H7Cl2N3O2S/c1-2-3-15-7-10-5(8)4(12(13)14)6(9)11-7/h2-3H2,1H3

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Names and synonyms

3 names
  • Pyrimidine, 4,6-dichloro-5-nitro-2-(propylthio)-
  • 4,6-Dichloro-5-nitro-2-propylthiopyrimidine
  • 4,6-Dichloro-5-nitro-2-propylsulfanylpyrimidine

Work with 4,6-Dichloro-5-nitro-2-(propylthio)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-Dichloro-2-(propylthio)pyrimidin-5-amine145783-15-954 % similar 2,4-Dichloro-6-methyl-5-nitropyrimidine13162-26-044 % similar 4,6-Dichloro-5-nitropyrimidine4316-93-244 % similar 2-Amino-6-chloro-5-nitro-3,4-dihydropyrimidin-4-one1007-99-438 % similar 2-Chloro-6-methoxy-3-nitropyridine38533-61-835 % similar 5-Bromo-2-chloro-4-methyl-3-nitropyridine884495-15-235 % similar Pentachloronitrobenzene82-68-834 % similar 2,6-Dichloro-3-nitropyridine16013-85-733 % similar

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

Elsewhere

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