S-Phenyl-L-cysteine

The L-Cysteine, S-phenyl-, with the CAS registry number 34317-61-8, is also known as 3-(Phenylthio)-L-alanine and 4-Thia-L-homophenylalanine. It belongs to the product categories of Amino Acids; Amino Acid Derivatives; Protected Amino Acid & Peptides; Cysteine [Cys, C]. This chemical's molecular formula is C₉H₁₁NO₂S and molecular weight is 197.25. What's more, its IUPAC name is Diethyl 2-[[4-[[2-hydroxyethyl(methyl)amino]diazenyl]benzoyl]amino]pentanedioate and systematic name is called S-Phenyl-L-cysteine. It is almost white to beige powder.

Physical properties about L-Cysteine, S-phenyl- are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): -0.67; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 54.84 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 53.9 cm³; (15)Molar Volume: 152.5 cm³; (16)Surface Tension: 60.7 dyne/cm; (17)Density: 1.29 g/cm³; (18)Flash Point: 172.4 °C; (19)Enthalpy of Vaporization: 64.08 kJ/mol; (20)Boiling Point: 361.5 °C at 760 mmHg; (21)Vapour Pressure: 7.39E-06 mmHg at 25 °C; (22)Melting point: 200 ºC.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system, skin and may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](N)CSc1ccccc1
(2) InChI: InChI=1/C9H11NO2S/c10-8(9(11)12)6-13-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
(3) InChIKey: XYUBQWNJDIAEES-QMMMGPOBBZ