L-Cysteine (3-Phenylpropyl)Carbamodithioate (Ester)
[CAS# 137915-13-0]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Cysteine derivative
• Name: L-Cysteine (3-Phenylpropyl)Carbamodithioate (Ester)
• Synonyms: (2R)-2-Amino-3-[[(3-Phenylpropylamino)-Thioxomethyl]Thio]Propanoic Acid; (2R)-2-Amino-3-(3-Phenylpropylthiocarbamoylthio)Propionic Acid; S-(N-(3-Phenylpropyl)(Thiocarbamoyl))-Cysteine
• Molecular Formula: C₁₃H₁₈N₂O₂S₂
• Molecular Weight: 298.42
• CAS Registry Number: 137915-13-0
• SMILES: [C@H](C(=O)O)(N)CSC(NCCCC1=CC=CC=C1)=S
• InChI: 1S/C13H18N2O2S2/c14-11(12(16)17)9-19-13(18)15-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1
• InChIKey: XMEUXBMTQJJHED-NSHDSACASA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 479.059°C at 760 mmHg (Cal.)
• Flash point: 243.526°C (Cal.)