chempirical

N-(2-Nitrophenyl)hydrazinecarbothioamide

C7H8N4O2SCAS 73305-12-1212.23 g/mol

Open in Covalent MOL file
NH2NHSHNN+OO−
NitroPrimary amineThiol

Properties

Molecular formula
C7H8N4O2S
Molar mass
212.23 g/mol
Exact mass
212.0368 Da
Melting point
72 °C
logP
0.98Crippen estimate
Polar surface area
93.5 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2

Identifiers

CAS number
73305-12-1
SMILES
NNC(S)=Nc1ccccc1[N+](=O)[O-]
InChIKey
SCSGXHUQNKDYPY-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N4O2S/c8-10-7(14)9-5-3-1-2-4-6(5)11(12)13/h1-4H,8H2,(H2,9,10,14)

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Names and synonyms

4 names
  • Hydrazinecarbothioamide, N-(2-nitrophenyl)-
  • 4-(2-Nitrophenyl)-3-thiosemicarbazide
  • 1-Amino-3-(2-nitrophenyl)thiourea
  • 3-Amino-1-(2-nitrophenyl)thiourea

Work with N-(2-Nitrophenyl)hydrazinecarbothioamide

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

N-(2-Nitrophenyl)acetamide552-32-953 % similar N-(2-Methylphenyl)hydrazinecarbothioamide614-10-852 % similar N-(2-Nitrophenyl)benzamide728-90-552 % similar 4-Phenylthiosemicarbazide5351-69-951 % similar N-(2-Methoxyphenyl)hydrazinecarbothioamide40207-02-149 % similar 2-Nitrophenyl isocyanate3320-86-347 % similar (2-Nitrophenyl)hydrazine3034-19-346 % similar 2-Nitrobenzohydrazide606-26-846 % similar

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

Elsewhere

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