2-(4-Ethoxyphenyl)sulfanyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium; 2,4,6-trinitrophenolate

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CAS
13451-94-0
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Catalog Number

ACM13451940

Product Name

2-(4-Ethoxyphenyl)sulfanyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium; 2,4,6-trinitrophenolate

CAS

13451-94-0

Category

Heterocyclic Organic Compound

Synonyms

CID26025, LS-32957, 2-((p-Ethoxyphenyl)thio)-1-(2-(1-pyrrolidinyl)ethyl)benzimidazole dipicrate, BENZIMIDAZOLE, 2-((p-ETHOXYPHENYL)THIO)-1-(2-(1-PYRROLIDINYL)ETHYL)-, DIPICRATE, 13451-94-0

IUPAC Name

2-(4-ethoxyphenyl)sulfanyl-3-(2-pyrrolidin-1-ium-1-ylethyl)-1H-benzimidazol-3-ium; 2,4,6-trinitrophenolate

Molecular Weight

825.716 g/mol

Molecular Formula

C₃₃H₃₁N₉O₁₅S

Canonical SMILES

CCOC1=CC=C(C=C1)SC2=[N+](C3=CC=CC=C3N2)CC[NH+]4CCCC4.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

BHUNTJHRMPBQFW-UHFFFAOYSA-N

Boiling Point

877.4ºC at 760 mmHg

Flash Point

484.4ºC

Exact Mass

825.16600

H-Bond Acceptor

H-Bond Donor

MSDS

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