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16637-59-5

Basic Information
CAS No.: 16637-59-5
Name: N-ACETYL-S-METHYL-L-CYSTEINE
Article Data: 1
Molecular Structure:
Molecular Structure of 16637-59-5 (N-ACETYL-S-METHYL-L-CYSTEINE)
Formula: C6H11NO3S
Molecular Weight: 177.224
Synonyms: Alanine,N-acetyl-3-(methylthio)-, L- (8CI);N-Acetyl-S-methylcysteine;
Density: 1.244 g/cm3
Melting Point: 83-85 °C
Boiling Point: 430.333 °C at 760 mmHg
Flash Point: 214.058 °C
PSA: 91.70000
LogP: 0.32960
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Specification

The CAS registry number of L-Cysteine,N-acetyl-S-methyl- is 16637-59-5. The IUPAC name is (2R)-2-acetamido-3-methylsulfanylpropanoic acid. In addition, the molecular formula is C6H11NO3S and the molecular weight is 177.22. It is also called N-Acetyl-S-methyl-L-cysteine. What's more, it is a kind of white crystal and belongs to the classes of Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives; Metabolites; Sulfur & Selenium Compounds. And it should be stored in a cool and dry place.

Physical properties about L-Cysteine,N-acetyl-S-methyl- are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 91.7 Å2; (9)Index of Refraction: 1.515; (10)Molar Refractivity: 42.991 cm3; (11)Molar Volume: 142.483 cm3; (12)Polarizability: 17.043 ×10-24cm3; (13)Surface Tension: 47.33 dyne/cm; (14)Density: 1.244 g/cm3; (15)Flash Point: 214.058 °C; (16)Enthalpy of Vaporization: 75.204 kJ/mol; (17)Boiling Point: 430.333 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)N[C@@H](CSC)C(=O)O
(2)InChI: InChI=1/C6H11NO3S/c1-4(8)7-5(3-11-2)6(9)10/h5H,3H2,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1
(3)InChIKey: RYGLCORNOFFGTB-YFKPBYRVBP