N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiuronium hexafluorophosphate

C₁₀H₁₆F₆N₃OPSCAS 212333-72-7371.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₆F₆N₃OPS
Molar mass: 371.28 g/mol
Exact mass: 371.0656 Da
logP: 3.98Crippen estimate
Polar surface area: 33.2 Å²
H-bond donors / acceptors: 0 / 2
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

212333-72-7

SMILES

CN(C)C(=[N+](C)C)SC1=CC=CC=[N+]1[O-].F[P-](F)(F)(F)(F)F

InChIKey

UCOGEMMJHLHOAW-UHFFFAOYSA-N

InChI

InChI=1S/C10H16N3OS.F6P/c1-11(2)10(12(3)4)15-9-7-5-6-8-13(9)14;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1

Weigh it out

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Work with N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiuronium hexafluorophosphate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiouronium Tetrafluoroborate255825-38-8Salt

Similar compounds

1-(Bis(dimethylamino)methylene)-1H-benzotriazolium hexafluorophosphate(1-) 3-oxide94790-37-141 % similar Dipyrithione3696-28-440 % similar S-(2-Pyridyl)isothiuronium N-oxide hydrochloride2770-93-638 % similar HATU148893-10-137 % similar Chloro-N,N,N',N'-tetramethylformamidinium Hexafluorophosphate94790-35-934 % similar HCTU330645-87-933 % similar Hdbtu164861-52-332 % similar 2-Methylpyridine 1-oxide931-19-130 % similar

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

Elsewhere

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