2-[(2-Methyl-1H-indol-3-yl)methylene]-N-(4-methylphenyl)hydrazinecarbothioamide
Basic information
- CAS
307340-56-3- Standard SMILES
Cc1ccc(NC(=S)NN=Cc2c(C)[nH]c3ccccc23)cc1- InChIKey
MSUCOQSYLBQWCR-UHFFFAOYSA-N- Molecular formula
- C18H18N4S
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.12521776
Names & identifiers
- Preferred name
- 2-[(2-Methyl-1H-indol-3-yl)methylene]-N-(4-methylphenyl)hydrazinecarbothioamide
- IUPAC
- 1-[(2-methyl-1H-indol-3-yl)methylideneamino]-3-(4-methylphenyl)thiourea
- English name
- 2-methyl-1H-indole-3-carbaldehyde N-(4-methylphenyl)thiosemicarbazone
- Molecular formula
- C18H18N4S
- Molecular weight
- 322.43
Names & synonyms
307340-56-32-[(2-Methyl-1H-indol-3-yl)methylene]-N-(4-methylphenyl)hydrazinecarbothioamideHydrazinecarbothioamide, 2-[(2-methyl-1H-indol-3-yl)methylene]-N-(4-methylphenyl)-DTXSID701136722HMS2626N19ZINC003578512-[(2-Methyl-1H-indol-3-yl)methylidene]-N-(4-methylphenyl)hydrazine-1-carbothioamide2-methyl-1H-indole-3-carbaldehyde N-(4-methylphenyl)thiosemicarbazone(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]-N-(4-methylphenyl)hydrazinecarbothioamide
Database identifiers
- CAS
307340-56-3- PubChem CID
- 722112
- DTXSID
DTXSID701136722
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 518.9 · 518.9±60.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 10.92 · 10.92±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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