N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline
Basic information
- CAS
5440-68-6- Standard SMILES
CSC(C)C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
MDTLCKSUWLYASZ-UHFFFAOYSA-N- Molecular formula
- C10H12N4O4S
- Average molar mass
- 284.29 g/mol
- Monoisotopic mass
- 284.05792605
Names & identifiers
- Preferred name
- N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline
- IUPAC
- N-(2-methylsulfanylpropylideneamino)-2,4-dinitroaniline
Names & synonyms
5440-68-6NSC 20702N-(2-methylsulfanylpropylideneamino)-2,4-dinitroanilineDTXSID402811941-(2,4-Dinitrophenyl)-2-[2-(methylsulfanyl)propylidene]hydrazine
Database identifiers
- CAS
5440-68-6- PubChem CID
- 228092
- DTXSID
DTXSID40281194
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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