4-Cyclohexyl-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

C₁₁H₁₃N₃OSCAS 290313-19-8235.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₃N₃OS
Molar mass: 235.31 g/mol
Exact mass: 235.0779 Da
logP: 2.35Crippen estimate
Polar surface area: 72.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

290313-19-8

SMILES

C1CCC(CC1)C2=C(C(=O)NC(=S)N2)C#N

InChIKey

LIXJAXQQMCEYOV-UHFFFAOYSA-N

InChI

InChI=1S/C11H13N3OS/c12-6-8-9(7-4-2-1-3-5-7)13-11(16)14-10(8)15/h7H,1-5H2,(H2,13,14,15,16)

Weigh it out

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

Names and synonyms

1 names

5-Cyano-6-cyclohexyl-2-thiouracil

Work with 4-Cyclohexyl-2-mercapto-6-oxo-1,6-dihydropyrimidine-5-carbonitrile

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

6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile654-49-931 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook