chempirical

N-(2-Methoxyphenyl)hydrazinecarbothioamide

C8H11N3OSCAS 40207-02-1197.26 g/mol

Open in Covalent MOL file
ONHSNHH2N
EtherPrimary amineThiol

Properties

Molecular formula
C8H11N3OS
Molar mass
197.26 g/mol
Exact mass
197.0623 Da
Melting point
156 °C
logP
1.08Crippen estimate
Polar surface area
59.6 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
40207-02-1
SMILES
COc1ccccc1N=C(S)NN
InChIKey
ZZRBYYMDUDFTNR-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N3OS/c1-12-7-5-3-2-4-6(7)10-8(13)11-9/h2-5H,9H2,1H3,(H2,10,11,13)

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Names and synonyms

9 names
  • Hydrazinecarbothioamide, N-(2-methoxyphenyl)-
  • Semicarbazide, 4-(o-methoxyphenyl)-3-thio-
  • 4-(o-Methoxyphenyl)-3-thiosemicarbazide
  • 4-(o-Methoxyphenyl)thiosemicarbazide
  • 4-(2-Methoxyphenyl)thiosemicarbazide
  • 4-(2-Methoxyphenyl)-3-thiosemicarbazide
  • N-(2-Methoxyphenyl)thiosemicarbazide
  • 1-Amino-3-(2-methoxyphenyl)thiourea
  • 3-Amino-1-(2-methoxyphenyl)thiourea

Work with N-(2-Methoxyphenyl)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-Methylphenyl)hydrazinecarbothioamide614-10-861 % similar 4-Phenylthiosemicarbazide5351-69-956 % similar N-(2-Methoxyphenyl)acetamide93-26-551 % similar N-(2-Nitrophenyl)hydrazinecarbothioamide73305-12-149 % similar 2-Chloro-N-(2-methoxyphenyl)acetamide55860-22-547 % similar N-(2,6-Dimethylphenyl)hydrazinecarbothioamide71058-35-046 % similar O-Acetoacetanisidide92-15-946 % similar 2-Methoxybenzohydrazide7466-54-842 % similar

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

Same formula

4-(4-Methoxyphenyl)thiosemicarbazide40207-03-2

Elsewhere

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