Sodium p-toluenesulfinate

Sodium p-toluenesulfinate

Catalog Number ACM824793
CAS 824-79-3
Structure Sodium p-toluenesulfinate
Synonyms p-Toluenesulfinic acid sodium salt
IUPAC Name Sodium;4-methylbenzenesulfinate
Molecular Weight 178.19
Molecular Formula C7H7NaO2S
SMILES CC1=CC=C(C=C1)S(=O)[O-].[Na+]
InChI InChI=1S/C7H8O2S.Na/c1-6-2-4-7(5-3-6)10(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1
InChI Key KFZUDNZQQCWGKF-UHFFFAOYSA-M
Melting Point >300 °C
Purity 98%+
Solubility Slightly soluble in water
Appearance Powder
Storage Inert atmosphere, store in freezer, under -20 °C
Exact Mass 178.00644492
Hydrogen-Bond Acceptor Count 3
Hydrogen-Bond Donor Count 0
Monoisotopic Mass 178.00644492
Rotatable-Bond Count 1
Topological Polar Surface Area 59.3 Ų

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