2-Mercapto-5-nitropyridine

C₅H₄N₂O₂SCAS 2127-09-5156.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₄N₂O₂S
Molar mass: 156.16 g/mol
Exact mass: 155.9993 Da
logP: 1.65Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

2127-09-5

SMILES

C1=CC(=S)NC=C1[N+](=O)[O-]

InChIKey

BHQUBONFIYNJDA-UHFFFAOYSA-N

InChI

InChI=1S/C5H4N2O2S/c8-7(9)4-1-2-5(10)6-3-4/h1-3H,(H,6,10)

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Names and synonyms

1 names

5-Nitropyridine-2-thiol

Work with 2-Mercapto-5-nitropyridine

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

2-Amino-5-nitropyridine4214-76-058 % similar 1,4-Dinitrobenzene100-25-452 % similar 2-[(2-Aminoethyl)amino]-5-nitropyridine29602-39-948 % similar 4-Nitrophenol100-02-747 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-147 % similar 1,2-Bis(4-nitrophenyl)ethane736-30-144 % similar 4′-Nitro[1,1′-biphenyl]-4-ol3916-44-743 % similar 4-Nitrochlorobenzene100-00-542 % similar

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

Same formula

3-Nitro-2(1H)-pyridinethione38240-29-8

Elsewhere

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