3-[(2-Methyl-2-Propanyl)Disulfanyl]-L-Alanine Hydrate (1:1)
[CAS# 313223-16-4]

Identification

• Name: 3-[(2-Methyl-2-Propanyl)Disulfanyl]-L-Alanine Hydrate (1:1)
• Synonyms: L-Alanine, 3-[(1,1-dimethylethyl)dithio]-, monohydrate
• Molecular Formula: C₇H₁₇NO₃S₂
• Molecular Weight: 227.34
• CAS Registry Number: 313223-16-4
• SMILES: O=C(O)[C@@H](N)CSSC(C)(C)C.O
• InChI: 1S/C7H15NO2S2.H2O/c1-7(2,3)12-11-4-5(8)6(9)10;/h5H,4,8H2,1-3H3,(H,9,10);1H2/t5-;/m0./s1
• InChIKey: QXDVUJRRINMQAM-JEDNCBNOSA-N

Properties

• Boiling point: 400.2°C at 760 mmHg (Cal.)
• Flash point: 195.8°C (Cal.)
• Refractive index: (Cal.)