N-Methylisatin beta-4',4'-diethylthiosemicarbazone
Basic information
- CAS
6452-15-9- Standard SMILES
CCN(CC)C(=S)N=Nc1c(O)n(C)c2ccccc12- InChIKey
WZWKJOSHIMCMCE-UHFFFAOYSA-N- Molecular formula
- C14H18N4OS
- Average molar mass
- 290.39 g/mol
- Monoisotopic mass
- 290.12013238
Names & identifiers
- Preferred name
- N-Methylisatin beta-4',4'-diethylthiosemicarbazone
- IUPAC
- 1,1-diethyl-3-(2-hydroxy-1-methylindol-3-yl)iminothiourea
- English name
- N-methylisatin beta-4',4'-diethylthiosemicarbazone
- Molecular formula
- C14H18N4OS
- Molecular weight
- 290.38
Names & synonyms
M-IbdetN-Methylisatin beta-4',4'-diethylthiosemicarbazone6452-15-9241Z264JMN1,1-diethyl-3-(2-hydroxy-1-methylindol-3-yl)iminothioureaHydrazinecarbothioamide, 2-(1,2-dihydro-1-methyl-2-oxo-3H-indol-3-ylidene)-N,N-diethyl-UNII-241Z264JMNorb1985531SCHEMBL7102956AKOS040753297T337041-Methylisatin-.beta.-4':4'-diethylthiosemicarbazone
Show more names
Q278964721,1-diethyl-3-[(Z)-(1-methyl-2-oxo-indolin-3-ylidene)amino]thioureaINDOLE-2,3-DIONE, 1-METHYL-, 3-(4,4-DIETHYL-3-THIOSEMICARBAZONE)2-(1,2-DIHYDRO-1-METHYL-2-OXO-3H-INDOL-3-YLIDENE)-N,N-DIETHYLHYDRAZINECARBOTHIOAMIDE
Database identifiers
- CAS
6452-15-9- PubChem CID
- 65164
- UNII
- 241Z264JMN
- Nikkaji
- J556.661D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Physicochemical properties
- FDA UNII
- 241 Z264JMN · 241Z264JMN
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Related reactions
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Compound notes
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