Ethanethiol, 2-pentylamino-, hydrogen sulfate (ester)

1-(2-sulfosulfanylethylamino)pentane

CAS: 1190-89-2

Molecular Formula	`C7H17NO3S2`
Molecular Weight	227.3 g/mol
LogP	-1.4
Topological Polar Surface Area	100.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	227.06499
Heavy Atoms	13
Complexity	198.0

Chemical Identifiers

CAS Number	1190-89-2
SMILES	`CCCCCNCCSS(=O)(=O)O`
InChIKey	`HPEMBKNBNFNSLU-UHFFFAOYSA-N`

📖 Product Overview

Ethanethiol, 2-pentylamino-, hydrogen sulfate (ester) (CAS: 1190-89-2) is a chemical compound with molecular formula C7H17NO3S2 and molecular weight 227.3 g/mol. Its IUPAC systematic name is 1-(2-sulfosulfanylethylamino)pentane. LogP -1.4 Topological Polar Surface Area 100.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 8 Exact Mass 227.06499 Heavy Atoms 13 Complexity 198.0 InChI Key: HPEMBKNBNFNSLU-UHFFFAOYSA-N. SMILES: CCCCCNCCSS(=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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