2-{[4-(Phenyldiazenyl)benzyl]sulfonyl}ethyl N-(acetamidomethyl)-L-cysteinate hydrochloride (1:1)
[CAS# 76408-55-4]

Identification

• Name: 2-{[4-(Phenyldiazenyl)benzyl]sulfonyl}ethyl N-(acetamidomethyl)-L-cysteinate hydrochloride (1:1)
• Synonyms: 2-[[4-(phenylazo)benzyl]sulphonyl]ethyl S-(acetamidomethyl)-L-cysteinate monohydrochloride
• Molecular Formula: C₂₁H₂₇ClN₄O₅S₂
• Molecular Weight: 515.05
• CAS Registry Number: 76408-55-4
• EINECS: 278-438-9
• SMILES: Cl.CC(=O)NCN[C@@H](CS)C(=O)OCCS(=O)(=O)Cc2ccc(N=Nc1ccccc1)cc2
• InChI: 1S/C21H26N4O5S2.ClH/c1-16(26)22-15-23-20(13-31)21(27)30-11-12-32(28,29)14-17-7-9-19(10-8-17)25-24-18-5-3-2-4-6-18;/h2-10,20,23,31H,11-15H2,1H3,(H,22,26);1H/t20-;/m0./s1
• InChIKey: QHKJHCKGIRTXPT-BDQAORGHSA-N

Properties

• Boiling point: 779.6°C at 760 mmHg (Cal.)
• Flash point: 425.3°C (Cal.)