1-(2,4-Dinitrophenyl)-2-(1,2,3,4,4a,11b-hexahydrodibenzo[b,d]thiepin-7(6h)-ylidene)hydrazine
Basic information
- CAS
36045-65-5- Standard SMILES
O=[N+]([O-])c1ccc(NN=C2CSC3CCCCC3c3ccccc32)c([N+](=O)[O-])c1- InChIKey
MNSQHLWZCNELEF-UHFFFAOYSA-N- Molecular formula
- C20H20N4O4S
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.12052631
Names & identifiers
- Preferred name
- 1-(2,4-Dinitrophenyl)-2-(1,2,3,4,4a,11b-hexahydrodibenzo[b,d]thiepin-7(6h)-ylidene)hydrazine
- IUPAC
- N-(1,2,3,4,4a,11b-hexahydrobenzo[d][1]benzothiepin-7-ylideneamino)-2,4-dinitroaniline
Names & synonyms
36045-65-51-(2,4-dinitrophenyl)-2-(1,2,3,4,4a,11b-hexahydrodibenzo[b,d]thiepin-7(6h)-ylidene)hydrazineDTXSID90957453
Database identifiers
- CAS
36045-65-5- PubChem CID
- 264103
- DTXSID
DTXSID90957453
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 649
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Compound notes
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