CAS
55248-17-4 Purity
96%
55248-17-4 Purity
96%
![Diethyl-[2-[2-[4-(2-methylpropyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium; 2,4,6-trinitrophenolate](https://resource.alfa-chemistry.com/structure/5524-97-0.gif)
![(4,4-Dimethyl-2,5-dioxoimidazolidine-1,3-diyl)diethane-2,1-diyl bis([3-mercaptopropionate]](https://resource.alfa-chemistry.com/structure/55250-78-7.gif)
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2-[2-(4-Butan-2-ylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium; 2,4,6-trinitrophenolate
CAS
5524-98-1
Catalog Number
ACM5524981
Category
Other Products
Molecular Weight
839.785 g/mol
Molecular Formula
C35H37N9O14S
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Specification
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
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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