4-Isothiocyanatobenzenesulfonic Acid Sodium Salt Monohydrate
[CAS# 17614-69-6]

Identification

• Name: 4-Isothiocyanatobenzenesulfonic Acid Sodium Salt Monohydrate
• Synonyms: Sodium 4-Isothiocyanatobenzenesulfonate; Benzenesulfonic Acid, 4-Isothiocyanato-, Sodium Salt; Benzenesulfonic Acid, P-Isothiocyanato-, Sodium Salt
• Molecular Formula: C₇H₅NNaO₃S₂
• Molecular Weight: 238.23
• CAS Registry Number: 17614-69-6
• EINECS: 241-589-6
• SMILES: [Na].S=C=NC1=CC=C(C=C1)[S](O)(=O)=O
• InChI: 1S/C7H5NO3S2.Na/c9-13(10,11)7-3-1-6(2-4-7)8-5-12;/h1-4H,(H,9,10,11)
• InChIKey: WAKWGWYWMNPWQZ-UHFFFAOYSA-N