3-Methyl-2-(Methylthio)Benzothiazolium p-Toluenesulphonate
[CAS# 55514-14-2]

Identification

• Name: 3-Methyl-2-(Methylthio)Benzothiazolium p-Toluenesulphonate
• Synonyms: 4-Methylbenzenesulfonate; 3-Methyl-2-(Methylthio)-1,3-Benzothiazol-3-Ium; Benzothiazolium, 3-Methyl-2-(Methylthio)-, Salt With 4-Methylbenzenesulfonicacid (1:1); 3-Methyl-2-(Methylthio)-Benzothiazolium P-Toluenesulfonate
• Molecular Formula: C₁₆H₁₇NO₃S₃
• Molecular Weight: 367.50
• CAS Registry Number: 55514-14-2
• EINECS: 259-687-2
• SMILES: C1=CC=CC2=C1[N+](=C(SC)S2)C.C3=C(C=CC(=C3)C)[S](=O)(=O)[O-]
• InChI: 1S/C9H10NS2.C7H8O3S/c1-10-7-5-3-4-6-8(7)12-9(10)11-2;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
• InChIKey: SGABZOJLSUJGFH-UHFFFAOYSA-M