S-(2-Pyridyl)isothiuronium N-oxide hydrochloride

C6H8ClN3OSCAS 2770-93-6205.66 g/mol

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HClNHH2NSN+O−
Sulfide

Properties

Molecular formula
C6H8ClN3OS
Molar mass
205.66 g/mol
Exact mass
205.0077 Da
logP
0.73Crippen estimate
Polar surface area
76.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
2770-93-6
SMILES
Cl.N=C(N)Sc1cccc[n+]1[O-]
InChIKey
QTHDIGATKRFRKS-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N3OS.ClH/c7-6(8)11-5-3-1-2-4-9(5)10;/h1-4H,(H3,7,8);1H

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Names and synonyms

5 names
  • Carbamimidothioic acid, 1-oxido-2-pyridinyl ester, hydrochloride (1:1)
  • Pseudourea, 2-(2-pyridyl)-2-thio-, N-oxide, monohydrochloride
  • Carbamimidothioic acid, 2-pyridinyl ester, N-oxide, monohydrochloride
  • Carbamimidothioic acid, 1-oxido-2-pyridinyl ester, monohydrochloride
  • 2-(2-Pyridyl)isothiourea N-oxide hydrochloride

Work with S-(2-Pyridyl)isothiuronium N-oxide hydrochloride

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

Dipyrithione3696-28-449 % similar Benzylisothiourea hydrochloride538-28-344 % similar Chloride 2-chloropyridinium 1-oxide20295-64-141 % similar 2-Bromopyridine N-oxide hydrochloride80866-91-741 % similar N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiuronium hexafluorophosphate212333-72-738 % similar N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiouronium Tetrafluoroborate255825-38-838 % similar 1,1′-Dithiodiformamidine hydrochloride14807-75-134 % similar 2-Bromopyridine N-oxide hydrobromide206860-49-334 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-4-morpholino-1,2,5-thiadiazole30165-96-9

Elsewhere

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