4-Isothiocyanatobenzenesulfonate

4-isothiocyanatobenzenesulfonic acid

CAS: 7216-63-9

Molecular Formula	`C7H5NO3S2`
Molecular Weight	214.97108 g/mol
LogP	1.67
Topological Polar Surface Area	66.73 Å²
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	2
Exact Mass	214.97108
Heavy Atoms	13
Complexity	443.1

Chemical Identifiers

CAS Number	7216-63-9
SMILES	`C1=CC(=CC=C1N=C=S)S(=O)(=O)O`

Product Overview

4-Isothiocyanatobenzenesulfonate (CAS 7216-63-9), with molecular formula C7H5NO3S2 and molecular weight 214.97108 g/mol. IUPAC: 4-isothiocyanatobenzenesulfonic acid.

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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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