Pr-619

C₇H₅N₅S₂CAS 2645-32-1223.27 g/mol

Open in Covalent MOL file

Nitrile Primary amine Sulfide

Properties

Molecular formula: C₇H₅N₅S₂
Molar mass: 223.27 g/mol
Exact mass: 222.9986 Da
logP: 1.39Crippen estimate
Polar surface area: 112.5 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 2

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

2645-32-1

SMILES

C1=C(C(=NC(=C1SC#N)N)N)SC#N

InChIKey

ZXOBLNBVNROVLC-UHFFFAOYSA-N

InChI

InChI=1S/C7H5N5S2/c8-2-13-4-1-5(14-3-9)7(11)12-6(4)10/h1H,(H4,10,11,12)

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Work with Pr-619

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

[(4-Aminophenyl)sulfanyl]formonitrile2987-46-438 % similar p-Dimethylaminophenyl thiocyanate7152-80-934 % similar 2,6-Diamino-3,5-difluoropyridine247069-27-833 % similar 2,4-Dinitrophenyl thiocyanate1594-56-531 % similar

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

Elsewhere

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