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

C11H16N2O2SCAS 41840-28-2240.32 g/mol

Open in Covalent MOL file
NSOON
Sulfide

Properties

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

Similar compounds

S-(4,6-Dimethyl-2-pyrimidinyl) O-(phenylmethyl) carbonothioate42116-21-252 % similar 2-((4,6-Dimethyl-2-pyrimidinyl)thio)acetic acid55749-30-940 % similar 4,6-Dimethyl-2-(methylthio)pyrimidine14001-64-039 % similar tert-Butyl 2,6-dichloroisonicotinate75308-46-236 % similar 4-(Boc-amino)pyridine98400-69-236 % similar 4-(Boc-amino)-2-bromopyridine433711-95-634 % similar tert-Butyl 2-chloropyridine-4-carboxylate295349-62-133 % similar 1,1-Dimethylethyl 4-methylbenzoate13756-42-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-[(4-Methylphenyl)sulfonyl]piperazine27106-51-0 4-((1-Pyrrolidinylsulfonyl)methyl)benzenamine334981-10-1 4-(Piperidine-1-sulfonyl)-phenylamine6336-68-1 (2S)-N,N-Dimethyl-2-(phenylmethyl)-1-aziridinesulfonamide902146-43-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook