chempirical

N-(2-Methylphenyl)hydrazinecarbothioamide

C8H11N3SCAS 614-10-8181.26 g/mol

Open in Covalent MOL file
NHSNHH2N
Primary amineThiol

Properties

Molecular formula
C8H11N3S
Molar mass
181.26 g/mol
Exact mass
181.0674 Da
Melting point
148 °C
logP
1.38Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Identifiers

CAS number
614-10-8
SMILES
Cc1ccccc1N=C(S)NN
InChIKey
QCMQZMITIOLXFZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H11N3S/c1-6-4-2-3-5-7(6)10-8(12)11-9/h2-5H,9H2,1H3,(H2,10,11,12)

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Names and synonyms

12 names
  • Hydrazinecarbothioamide, N-(2-methylphenyl)-
  • Semicarbazide, 3-thio-4-o-tolyl-
  • 3-Thio-4-o-tolylsemicarbazide
  • 4-o-Tolylthiosemicarbazide
  • 4-o-Tolyl-3-thiosemicarbazide
  • 4-(2-Methylphenyl)thiosemicarbazide
  • 4-(o-Methylphenyl)thiosemicarbazide
  • NSC 97210
  • 2-Methylphenylthiosemicarbazide
  • N-(2-Methylphenyl)thiosemicarbazide
  • 4-(2-Methylphenyl)-3-thiosemicarbazide
  • 3-Amino-1-(2-methylphenyl)thiourea

Work with N-(2-Methylphenyl)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-(2,6-Dimethylphenyl)hydrazinecarbothioamide71058-35-068 % similar N,N′-Bis(2-methylphenyl)thiourea137-97-364 % similar 4-Phenylthiosemicarbazide5351-69-961 % similar N-(2-Methoxyphenyl)hydrazinecarbothioamide40207-02-161 % similar N-(2-Nitrophenyl)hydrazinecarbothioamide73305-12-152 % similar N-(2-Methylphenyl)acetamide120-66-147 % similar O-Acetoacetotoluidide93-68-542 % similar 2-Nitrosotoluene611-23-440 % similar

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

Same formula

3-Amino-1-(4-methylphenyl)thiourea13278-67-6 4-Benzylthiosemicarbazide13431-41-9

Elsewhere

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