chempirical

4-(4-Methoxyphenyl)thiosemicarbazide

C8H11N3OSCAS 40207-03-2197.26 g/mol

Open in Covalent MOL file
ONHSHNNH2
EtherHydrazonePrimary amineThiol

Properties

Molecular formula
C8H11N3OS
Molar mass
197.26 g/mol
Exact mass
197.0623 Da
Melting point
154 °C
logP
1.27Crippen estimate
Polar surface area
59.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
40207-03-2
SMILES
COc1ccc(NC(S)=NN)cc1
InChIKey
XFTUQILJEQYQHK-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N3OS/c1-12-7-4-2-6(3-5-7)10-8(13)11-9/h2-5H,9H2,1H3,(H2,10,11,13)

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Names and synonyms

10 names
  • NSC 157324
  • Hydrazinecarbothioamide, N-(4-methoxyphenyl)-
  • Semicarbazide, 4-(p-methoxyphenyl)-3-thio-
  • N-(4-Methoxyphenyl)hydrazinecarbothioamide
  • 4-(p-Methoxyphenyl)-3-thiosemicarbazide
  • 4-(p-Methoxyphenyl)thiosemicarbazide
  • 4-(4-Methoxyphenyl)-3-thiosemicarbazide
  • N-(4-Methoxyphenyl)thiosemicarbazide
  • 1-Amino-3-(4-methoxyphenyl)thiourea
  • 3-Amino-1-(4-methoxyphenyl)thiourea

Work with 4-(4-Methoxyphenyl)thiosemicarbazide

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-(4-Fluorophenyl)thiosemicarbazide330-94-958 % similar (4-Methoxyphenyl)thiourea2293-07-454 % similar Bis(4-methoxyphenyl)amine101-70-245 % similar (4-Methoxyphenyl)hydrazine hydrochloride19501-58-743 % similar 2-Chloro-N-(4-methoxyphenyl)acetamide22303-36-243 % similar 4-Methoxy-N-methylbenzenamine5961-59-143 % similar N-(4-Methoxyphenyl)-3-oxobutanamide5437-98-941 % similar N-(4-Methoxyphenyl)aniline1208-86-241 % similar

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

Same formula

N-(2-Methoxyphenyl)hydrazinecarbothioamide40207-02-1

Elsewhere

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