2-[2-(4-Butan-2-ylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium; 2,4,6-trinitrophenolate

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Catalog Number
ACM5524981
Product Name
2-[2-(4-Butan-2-ylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium; 2,4,6-trinitrophenolate
CAS
5524-98-1
Category
Heterocyclic Organic Compound
Synonyms
CID21697, LS-32685, 2-((p-sec-Butylphenyl)thio)-1-(2-(diethylamino)ethyl)benzimidazole dipicrate, BENZIMIDAZOLE, 2-((p-sec-BUTYLPHENYL)THIO)-1-(2-(DIETHYLAMINO)ETHYL)-, DIPICRATE, 5524-98-1
IUPAC Name
2-[2-(4-butan-2-ylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium; 2,4,6-trinitrophenolate
Molecular Weight
839.785 g/mol
Molecular Formula
C35H37N9O14S
Canonical SMILES
CCC(C)C1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3N2)CC[NH+](CC)CC.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI Key
WZEOAHUYVUQWOI-UHFFFAOYSA-N
Boiling Point
849.5ºC at 760 mmHg
Flash Point
467.6ºC
Exact Mass
839.21800
H-Bond Acceptor
14
H-Bond Donor
2
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