N-Acetyl-S-[(1E)-1,2,3,4,4-pentachloro-1,3-butadien-1-yl]-L-cysteine
[CAS# 89784-39-4]

Identification

• Name: N-Acetyl-S-[(1E)-1,2,3,4,4-pentachloro-1,3-butadien-1-yl]-L-cysteine
• Synonyms: L-Cysteine, N-acetyl-S-(1,2,3,4,4-pentachloro-1,3-butadienyl)-; N-Acetyl-S-(1,2,3,4,4-pentachlorobutadienyl)-L-cysteine; N-acetyl-S-pentachloro-1,3-butadienylcysteine
• Molecular Formula: C₉H₈Cl₅NO₃S
• Molecular Weight: 387.49
• CAS Registry Number: 89784-39-4
• SMILES: Cl/C(SC[C@@H](C(=O)O)NC(=O)C)=C(/Cl)\C(\Cl)=C(/Cl)Cl
• InChI: 1S/C9H8Cl5NO3S/c1-3(16)15-4(9(17)18)2-19-8(14)6(11)5(10)7(12)13/h4H,2H2,1H3,(H,15,16)(H,17,18)/b8-6-/t4-/m0/s1
• InChIKey: HMFZXPFVUQXTHQ-ZPFUWANQSA-N

Properties

• Density: 1.646g/cm³ (Cal.)
• Boiling point: 489.471°C at 760 mmHg (Cal.)
• Flash point: 249.823°C (Cal.)