2-(Benzothiazol-2-Ylamino)-4-Methylsulfanyl-Butyric Acid
[CAS# 436810-97-8]

Identification

• Name: 2-(Benzothiazol-2-Ylamino)-4-Methylsulfanyl-Butyric Acid
• Synonyms: (2S)-2-(1,3-Benzothiazol-2-Ylamino)-4-Methylsulfanyl-Butanoate; (2S)-2-(1,3-Benzothiazol-2-Ylamino)-4-(Methylthio)Butanoate; (2S)-2-(1,3-Benzothiazol-2-Ylamino)-4-(Methylthio)Butyrate
• Molecular Formula: C₁₂H₁₃N₂O₂S₂
• Molecular Weight: 281.37
• CAS Registry Number: 436810-97-8
• SMILES: [C@H](NC2=NC1=CC=CC=C1S2)(CCSC)C([O-])=O
• InChI: 1S/C12H14N2O2S2/c1-17-7-6-9(11(15)16)14-12-13-8-4-2-3-5-10(8)18-12/h2-5,9H,6-7H2,1H3,(H,13,14)(H,15,16)/p-1/t9-/m0/s1
• InChIKey: WQBVDLYLCFPUNZ-VIFPVBQESA-M

Properties

• Boiling point: 486.318°C at 760 mmHg (Cal.)
• Flash point: 247.916°C (Cal.)