1,8-Octanediamine, N,N'-bis(4-(methylthio)-9-acridinyl)-
Basic information
- CAS
64955-65-3- Standard SMILES
CSc1cccc2c(NCCCCCCCCNc3c4ccccc4nc4c(SC)cccc34)c3ccccc3nc12- InChIKey
WYOJTIWWMMMDJN-UHFFFAOYSA-N- Molecular formula
- C36H38N4S2
- Average molar mass
- 590.8 g/mol
- Monoisotopic mass
- 590.25378958
Names & identifiers
- Preferred name
- 1,8-Octanediamine, N,N'-bis(4-(methylthio)-9-acridinyl)-
- IUPAC
- N,N'-bis(4-methylsulfanylacridin-9-yl)octane-1,8-diamine
Names & synonyms
64955-65-31,8-Octanediamine, N,N'-bis(4-(methylthio)-9-acridinyl)-NSC267443CHEMBL3278771DTXSID20215275N,N'-Bis(4-(methylthio)-9-acridinyl)-1,8-octanediamineNSC 267443NSC-2674431, N,N'-bis[4-(methylthio)-9-acridinyl]-N~1~,N~8~-Bis[4-(methylsulfanyl)acridin-9-yl]octane-1,8-diamine
Database identifiers
- CAS
64955-65-3- PubChem CID
- 99690
- DTXSID
DTXSID20215275- ChEMBL
CHEMBL3278771
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 734
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Compound notes
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