1-(2-Nitrophenyl)-2-thiourea

C₇H₇N₃O₂SCAS 51039-84-0197.21 g/mol

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Properties

Molecular formula: C₇H₇N₃O₂S
Molar mass: 197.21 g/mol
Exact mass: 197.0259 Da
logP: 1.25Crippen estimate
Polar surface area: 81.2 Å²
H-bond donors / acceptors: 2 / 3
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

51039-84-0

SMILES

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

InChIKey

FLGZBEKWHFRZNP-UHFFFAOYSA-N

InChI

InChI=1S/C7H7N3O2S/c8-7(13)9-5-3-1-2-4-6(5)10(11)12/h1-4H,(H3,8,9,13)

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Names and synonyms

1 names

1-(2-Nitrophenyl)thiourea

Work with 1-(2-Nitrophenyl)-2-thiourea

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-Nitrophenyl)hydrazine3034-19-358 % similar o-Nitrophenylhydrazine hydrochloride6293-87-454 % similar 2-Chloro-N-(2-nitrophenyl)acetamide10147-70-353 % similar N-Methyl-2-nitrobenzenamine612-28-253 % similar 2-Nitrodiphenylamine119-75-551 % similar 1-(2-Bromophenyl)-2-thiourea5391-30-050 % similar 1,2-Dinitrobenzene528-29-048 % similar 2,4′-Dinitrodiphenylamine612-36-248 % similar

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

Same formula

N-(4-Nitrophenyl)thiourea3696-22-8 (3-Nitrophenyl)thiourea709-72-8 Tosyl azide941-55-9

Elsewhere

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