3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione

C₉H₁₅N₃O₂SCAS 1360105-53-8229.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₅N₃O₂S
Molar mass: 229.30 g/mol
Exact mass: 229.0885 Da
logP: 0.80Crippen estimate
Polar surface area: 67.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

1360105-53-8

SMILES

CCSC1=NC(=O)N(C(=O)N1)C(C)(C)C

InChIKey

BDGLMLJBANMNCP-UHFFFAOYSA-N

InChI

InChI=1S/C9H15N3O2S/c1-5-15-6-10-7(13)12(8(14)11-6)9(2,3)4/h5H2,1-4H3,(H,10,11,13,14)

Weigh it out

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

Names and synonyms

1 names

1,3,5-Triazine-2,4(1H,3H)-dione, 3-(1,1-dimethylethyl)-6-(ethylthio)-

Work with 3-(tert-Butyl)-6-(ethylthio)-1,3,5-triazine-2,4(1H,3H)-dione

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

Same formula

Ergothioneine497-30-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook