9-Acridinamine, 4,4'-(5,8-dioxa-2,11-dithiadodecane-1,12-diyl)bis-,dihydrochloride

HCID 153641

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Basic information

CAS: 75340-82-8
Standard SMILES: Cl.Cl.Nc1c2ccccc2nc2c(CSCCOCCOCCSCc3cccc4c(N)c5ccccc5nc34)cccc12
InChIKey: SMCIEPYEXKYVGQ-UHFFFAOYSA-N
Molecular formula: C34H36Cl2N4O2S2
Average molar mass: 667.7 g/mol
Monoisotopic mass: 666.1656741

Names & identifiers

Preferred name: 9-Acridinamine, 4,4'-(5,8-dioxa-2,11-dithiadodecane-1,12-diyl)bis-,dihydrochloride
IUPAC: 4-[2-[2-[2-[(9-aminoacridin-4-yl)methylsulfanyl]ethoxy]ethoxy]ethylsulfanylmethyl]acridin-9-amine;dihydrochloride

Names & synonyms

9-Acridinamine, 4,4'-(5,8-dioxa-2,11-dithiadodecane-1,12-diyl)bis-,dihydrochloride75340-82-8DTXSID802263074,4'-(5,8-Dioxa-2,11-dithiadodecane-1,12-diyl)di(acridin-9-amine)--hydrogen chloride (1/2)

Database identifiers

CAS: 75340-82-8
PubChem CID: 153641
DTXSID: DTXSID80226307

Properties

Computed structural properties

Topological polar surface area: 147 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 13
Heavy atoms: 44
Formal charge: 0
Complexity: 746

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