dimethyl-[3-(5-phenyl-3,4-dihydro-2H-1-benzothiepin-5-yl)propyl]azaniumhydrogen sulfate

dimethyl-[3-(5-phenyl-3,4-dihydro-2H-1-benzothiepin-5-yl)propyl]azanium;hydrogen sulfate

CAS: 37014-83-8

Molecular Formula	`C21H29NO4S2`
Molecular Weight	423.6 g/mol
Topological Polar Surface Area	116.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	423.1538
Heavy Atoms	28
Complexity	426.0

Chemical Identifiers

CAS Number	37014-83-8
SMILES	`C[NH+](C)CCCC1(CCCSC2=CC=CC=C21)C3=CC=CC=C3.OS(=O)(=O)[O-]`
InChIKey	`UGDNRBHZCNXAAT-UHFFFAOYSA-N`

📖 Product Overview

dimethyl-[3-(5-phenyl-3,4-dihydro-2H-1-benzothiepin-5-yl)propyl]azaniumhydrogen sulfate (CAS: 37014-83-8) is a chemical compound with molecular formula C21H29NO4S2 and molecular weight 423.6 g/mol. Its IUPAC systematic name is dimethyl-[3-(5-phenyl-3,4-dihydro-2H-1-benzothiepin-5-yl)propyl]azanium;hydrogen sulfate. Topological Polar Surface Area 116.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 5 Exact Mass 423.1538 Heavy Atoms 28 Complexity 426.0 InChI Key: UGDNRBHZCNXAAT-UHFFFAOYSA-N. SMILES: C[NH+](C)CCCC1(CCCSC2=CC=CC=C21)C3=CC=CC=C3.OS(=O)(=O)[O-].

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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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