4-Isothiocyanatobenzenesulfonate

HCID 87189

Basic information

CAS
7216-63-9
Standard SMILES
O=S(=O)(O)c1ccc(N=C=S)cc1
InChIKey
LBYBJJOUISDNRJ-UHFFFAOYSA-N
Molecular formula
C7H5NO3S2
Average molar mass
215.3 g/mol
Monoisotopic mass
214.97108502

Overview

inhibitors of acid extrusion; amino-reactive agent; inhibits anion fluxes in erythrocytes; RN given refers to sulfonic acid

Names & identifiers

Preferred name
4-Isothiocyanatobenzenesulfonate
IUPAC
4-isothiocyanatobenzenesulfonic acid
English name
para-Isothiocyanatobenzenesulfonate
Molecular weight
0

Names & synonyms

4-Isothiocyanatobenzenesulfonic acid4-Sulfophenyl isothiocyanate4-Isothiocyanatobenzenesulfonate7216-63-9p-Isothiocyanatobenzenesulfonatepara-IsothiocyanatobenzenesulfonateRefChem:995224-Isothiocyanatobenzene-1-sulfonic acidSCHEMBL668791DTXSID90992884

Database identifiers

CAS
7216-63-9
PubChem CID
87189
DTXSID
DTXSID90992884
Nikkaji
J1.989.472J

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
107 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
13

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Related reactions

3 records

Compound notes

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