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

(2-sulfosulfanylethylamino)methylbenzene

CAS: 949-96-2

Molecular Formula	`C9H13NO3S2`
Molecular Weight	247.3 g/mol
LogP	-1.7
Topological Polar Surface Area	100.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	247.03369
Heavy Atoms	15
Complexity	255.0

Chemical Identifiers

CAS Number	949-96-2
SMILES	`C1=CC=C(C=C1)CNCCSS(=O)(=O)O`
InChIKey	`BDWRWXCLAKVGMM-UHFFFAOYSA-N`

📖 Product Overview

Ethanethiol, 2-benzylamino-, hydrogen sulfate (ester) (CAS: 949-96-2) is a chemical compound with molecular formula C9H13NO3S2 and molecular weight 247.3 g/mol. Its IUPAC systematic name is (2-sulfosulfanylethylamino)methylbenzene. LogP -1.7 Topological Polar Surface Area 100.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 247.03369 Heavy Atoms 15 Complexity 255.0 InChI Key: BDWRWXCLAKVGMM-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)CNCCSS(=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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