chempirical

N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiouronium Tetrafluoroborate

C10H16BF4N3OSCAS 255825-38-8313.12 g/mol

Open in Covalent MOL file
B−FFFFNN+SN+O−
Sulfide

Properties

Molecular formula
C10H16BF4N3OS
Molar mass
313.12 g/mol
Exact mass
313.1043 Da
logP
1.90Crippen estimate
Polar surface area
33.2 Ų
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
255825-38-8
SMILES
[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)SC1=CC=CC=[N+]1[O-]
InChIKey
LHLFXDQURZVFLK-UHFFFAOYSA-N
InChI
InChI=1S/C10H16N3OS.BF4/c1-11(2)10(12(3)4)15-9-7-5-6-8-13(9)14;2-1(3,4)5/h5-8H,1-4H3;/q+1;-1

Weigh it out

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

Names and synonyms

1 names
  • 2-(1-Oxy-pyridin-2-yl)-1,1,3,3-tetramethylisothiouronium tetrafluoroborate

Work with N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiouronium Tetrafluoroborate

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)thiuronium hexafluorophosphate212333-72-7Salt

Similar compounds

O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate125700-67-641 % similar Dipyrithione3696-28-440 % similar S-(2-Pyridyl)isothiuronium N-oxide hydrochloride2770-93-638 % similar 2-(2-Pyridon-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate125700-71-236 % similar TCTU330641-16-233 % similar N,N,N',N'-Tetramethyl-O-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl)uronium tetrafluoroborate125700-69-832 % similar 2-(7-Azabenzotriazole-1-yl)-1,1,3,3-tetramethyluronium tetrafluoroborate873798-09-531 % similar 2-Methylpyridine 1-oxide931-19-130 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook