Naphtho(2,1-b)thiophene-4-methanol, 8-bromo-alpha-((dibutylamino)methyl)-, hydrochloride structure

Naphtho(2,1-b)thiophene-4-methanol, 8-bromo-alpha-((dibutylamino)methyl)-, hydrochloride

[2-(8-bromobenzo[e][1]benzothiol-4-yl)-2-hydroxyethyl]-dibutylazanium chloride

CAS: 37094-62-5
Molecular Formula C22H29BrClNOS
Molecular Weight 470.9 g/mol
Topological Polar Surface Area 52.9 A2
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
Rotatable Bonds 9
Exact Mass 469.08417
Heavy Atoms 27
Complexity 415.0

Chemical Identifiers

CAS Number 37094-62-5
SMILES CCCC[NH+](CCCC)CC(C1=C2C(=C3C=C(C=CC3=C1)Br)C=CS2)O.[Cl-]
InChIKey KPOIZQJGTGYJHE-UHFFFAOYSA-N

📖 Product Overview

Naphtho(2,1-b)thiophene-4-methanol, 8-bromo-alpha-((dibutylamino)methyl)-, hydrochloride (CAS: 37094-62-5) is a chemical compound with molecular formula C22H29BrClNOS and molecular weight 470.9 g/mol. Its IUPAC systematic name is [2-(8-bromobenzo[e][1]benzothiol-4-yl)-2-hydroxyethyl]-dibutylazanium chloride. Topological Polar Surface Area 52.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 9 Exact Mass 469.08417 Heavy Atoms 27 Complexity 415.0 InChI Key: KPOIZQJGTGYJHE-UHFFFAOYSA-N. SMILES: CCCC[NH+](CCCC)CC(C1=C2C(=C3C=C(C=CC3=C1)Br)C=CS2)O.[Cl-].

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