O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate

C₁₁H₁₆N₂O₂SCAS 41840-28-2240.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₆N₂O₂S
Molar mass: 240.32 g/mol
Exact mass: 240.0932 Da
logP: 3.12Crippen estimate
Polar surface area: 52.1 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 1

Identifiers

CAS number

41840-28-2

SMILES

Cc1cc(C)nc(SC(=O)OC(C)(C)C)n1

InChIKey

POTDIELOEHTPJN-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2O2S/c1-7-6-8(2)13-9(12-7)16-10(14)15-11(3,4)5/h6H,1-5H3

Weigh it out

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

Names and synonyms

4 names

Carbonothioic acid, O-(1,1-dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) ester
S-tert-Butoxycarbonyl-4,6-dimethyl-2-thiopyrimidine
2-(tert-Butoxycarbonylthio)-4,6-dimethylpyrimidine
B 1089

Work with O-(1,1-Dimethylethyl) S-(4,6-dimethyl-2-pyrimidinyl) carbonothioate

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

1-[(4-Methylphenyl)sulfonyl]piperazine27106-51-0 4-[(1-Pyrrolidinylsulfonyl)methyl]benzenamine334981-10-1 (2S)-N,N-Dimethyl-2-(phenylmethyl)-1-aziridinesulfonamide902146-43-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook