Cysteine,N-acetyl-S-(phenylmethyl)- supplier

Name
N-ACETYL-S-BENZYL-DL-CYSTEINE
EINECS
CAS No. 19538-71-7
Article Data10
CAS DataBase
Density 1.246 g/cm³
Solubility
Melting Point 156 °C
Formula C₁₂H₁₅NO₃S
Boiling Point 506.2 °C at 760 mmHg
Molecular Weight 253.322
Flash Point 259.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine,N-acetyl-3-(benzylthio)-, DL- (8CI);DL-Cysteine, N-acetyl-S-(phenylmethyl)-;N-Acetyl-S-benzyl-DL-cysteine;
PSA 95.19000
LogP 2.34940

Cysteine,N-acetyl-S-(phenylmethyl)- Specification

The Cysteine,N-acetyl-S-(phenylmethyl)-, also known as N-Acetyl-S-benzylcysteine, is an organic compound with the formula C₁₂H₁₅NO₃S. With the CAS registry number 19538-71-7, its IUPAC name is 2-acetamido-3-benzylsulfanylpropanoic acid.

Physical properties of Cysteine,N-acetyl-S-(phenylmethyl)-: (1)ACD/LogP: 1.29; (2)ACD/LogD (pH 5.5): -1.21; (3)ACD/LogD (pH 7.4): -2.37; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.578; (12)Molar Refractivity: 67.47 cm³; (13)Molar Volume: 203.1 cm³; (14)Surface Tension: 52 dyne/cm; (15)Density: 1.246 g/cm³; (16)Flash Point: 259.9 °C; (17)Enthalpy of Vaporization: 81.71 kJ/mol; (18)Boiling Point: 506.2 °C at 760 mmHg; (19)Vapour Pressure: 4.55E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC(CSCC1=CC=CC=C1)C(=O)O
(2)InChI: InChI=1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)
(3)InChIKey: BJUXDERNWYKSIQ-UHFFFAOYSA-N

Product Name

N-ACETYL-S-BENZYL-DL-CYSTEINE

Cysteine,N-acetyl-S-(phenylmethyl)- Specification

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