L-Cysteine,N-acetyl-S-(3,4-dichlorophenyl)- supplier

Name
Alanine, N-acetyl-3-((3,4-dichlorophenyl)thio)-
EINECS
CAS No. 13443-69-1
Density 1.47 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁Cl₂NO₃S
Boiling Point 542.7 °C at 760 mmHg
Molecular Weight 308.185
Flash Point 282 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine,N-acetyl-3-[(3,4-dichlorophenyl)thio]- (7CI,8CI);
PSA 91.70000
LogP 3.06570

L-Cysteine,N-acetyl-S-(3,4-dichlorophenyl)- Specification

The L-Cysteine,N-acetyl-S-(3,4-dichlorophenyl)-, also known as 3,4-Dcpma, is an organic compound with the formula C₁₁H₁₁Cl₂NO₃S. With the CAS registry number 13443-69-1, its IUPAC name is (2R)-2-acetamido-3-(3,4-dichlorophenyl)sulfanylpropanoic acid.

Physical properties of L-Cysteine,N-acetyl-S-(3,4-dichlorophenyl)-: (1)ACD/LogP: 2.96; (2)ACD/LogD (pH 5.5): 0.32; (3)ACD/LogD (pH 7.4): -0.73; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.23; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.617; (12)Molar Refractivity: 72.96 cm³; (13)Molar Volume: 208.3 cm³; (14)Surface Tension: 61.7 dyne/cm; (15)Density: 1.47 g/cm³; (16)Flash Point: 282 °C; (17)Enthalpy of Vaporization: 86.39 kJ/mol; (18)Boiling Point: 542.7 °C at 760 mmHg; (19)Vapour Pressure: 1.31E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)NC(CSC1=CC(=C(C=C1)Cl)Cl)C(=O)O
(2)Isomeric SMILES: CC(=O)N[C@@H](CSC1=CC(=C(C=C1)Cl)Cl)C(=O)O
(3)InChI: InChI=1S/C11H11Cl2NO3S/c1-6(15)14-10(11(16)17)5-18-7-2-3-8(12)9(13)4-7/h2-4,10H,5H2,1H3,(H,14,15)(H,16,17)/t10-/m0/s1
(4)InChIKey: JYWAYDDGOPHFIS-JTQLQIEISA-N

Product Name

Alanine, N-acetyl-3-((3,4-dichlorophenyl)thio)-

L-Cysteine,N-acetyl-S-(3,4-dichlorophenyl)- Specification

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