Compound C13H21Br2N3S

2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethyl-diethylazanium dibromide

CAS: 18144-28-0

Molecular Formula	`C13H21Br2N3S`
Molecular Weight	411.2 g/mol
Topological Polar Surface Area	59.7 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	410.98026
Heavy Atoms	19
Complexity	207.0

Chemical Identifiers

CAS Number	18144-28-0
SMILES	`CC[NH+](CC)CCSC1=[NH+]C2=CC=CC=C2N1.[Br-].[Br-]`
InChIKey	`SBCKVODJCMQYMA-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H21Br2N3S (CAS: 18144-28-0) is a chemical compound with molecular formula C13H21Br2N3S and molecular weight 411.2 g/mol. Its IUPAC systematic name is 2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethyl-diethylazanium dibromide. Topological Polar Surface Area 59.7 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 410.98026 Heavy Atoms 19 Complexity 207.0 InChI Key: SBCKVODJCMQYMA-UHFFFAOYSA-N. SMILES: CC[NH+](CC)CCSC1=[NH+]C2=CC=CC=C2N1.[Br-].[Br-].

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