chempirical

N-(4-Nitrophenyl)thiourea

C7H7N3O2SCAS 3696-22-8197.21 g/mol

Open in Covalent MOL file
NHHSHNN+OO−
NitroSecondary AmineSulfideTertiary Amine

Properties

Molecular formula
C7H7N3O2S
Molar mass
197.21 g/mol
Exact mass
197.0259 Da
Melting point
189–190 °C
logP
1.87Crippen estimate
Polar surface area
79.0 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
3696-22-8
SMILES
N=C(S)Nc1ccc([N+](=O)[O-])cc1
InChIKey
BLYAANPIHFKKMQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3O2S/c8-7(13)9-5-1-3-6(4-2-5)10(11)12/h1-4H,(H3,8,9,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Thiourea, N-(4-nitrophenyl)-
  • Urea, 1-(p-nitrophenyl)-2-thio-
  • Thiourea, (4-nitrophenyl)-
  • U 20757
  • 1-(4-Nitrophenyl)-2-thiourea
  • (p-Nitrophenyl)thiourea
  • 4-Nitrophenylthiourea
  • 1-(4-Nitrophenyl)thiourea
  • NSC 61006
  • Ethanethioamide, 2-[(4-nitrophenyl)amino]-

Work with N-(4-Nitrophenyl)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

Same formula

(3-Nitrophenyl)thiourea709-72-8 Tosyl azide941-55-9

Elsewhere

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