tert-butyl-[3-[(2-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)oxy]-2-hydroxypropyl]azanium chloride

CAS: 85462-80-2

Molecular Formula	`C18H30ClNO4S`
Molecular Weight	392.0 g/mol
Topological Polar Surface Area	101.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	391.15842
Heavy Atoms	25
Complexity	412.0

Chemical Identifiers

CAS Number	85462-80-2
SMILES	`CCOC(=O)C1=C(C2=C(S1)CCCC2)OCC(C[NH2+]C(C)(C)C)O.[Cl-]`
InChIKey	`VUYCWLUWQBWZAE-UHFFFAOYSA-N`

📖 Product Overview

tert-butyl-[3-[(2-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)oxy]-2-hydroxypropyl]azanium chloride (CAS: 85462-80-2) is a chemical compound with molecular formula C18H30ClNO4S and molecular weight 392.0 g/mol. Its IUPAC systematic name is tert-butyl-[3-[(2-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)oxy]-2-hydroxypropyl]azanium chloride. Topological Polar Surface Area 101.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 9 Exact Mass 391.15842 Heavy Atoms 25 Complexity 412.0 InChI Key: VUYCWLUWQBWZAE-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=C(C2=C(S1)CCCC2)OCC(C[NH2+]C(C)(C)C)O.[Cl-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for tert-butyl-[3-[(2-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)oxy]-2-hydroxypropyl]azanium chloride.

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