Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
L-Cysteine,N-acetyl-S-(1,2-dichloroethenyl)- |
EINECS | N/A |
CAS No. | 2148-31-4 | Density | 1.473 g/cm3 |
PSA | 91.70000 | LogP | 1.97630 |
Solubility | N/A | Melting Point |
101-103°C |
Formula | C7H9Cl2NO3S | Boiling Point | 478.6 °C at 760 mmHg |
Molecular Weight | 258.125 | Flash Point | 243.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Alanine,N-acetyl-3-[(1,2-dichlorovinyl)thio]- (7CI);Alanine,N-acetyl-3-[(1,2-dichlorovinyl)thio]-, L- (8CI);N-AcetylS-(1,2-dichlorovinyl)-L-cysteine; |
Article Data | 1 |
The L-Cysteine,N-acetyl-S-(1,2-dichloroethenyl)-, with its CAS registry number 2148-31-4, is also known as N-Acetyl-S-(1,2-dichloroethenyl)-L-cysteine. With its molecular formula of C7H9Cl2NO3S, it has its IUPAC name of (2R)-2-acetamido-3-[(Z)-1,2-dichloroethenyl]sulfanylpropanoic acid.
Physical properties of L-Cysteine,N-acetyl-S-(1,2-dichloroethenyl)-: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.1 ; (4)ACD/LogD (pH 7.4): -2.23; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 71.91 Å2; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 57.22 cm3; (15)Molar Volume: 175.1 cm3; (16)Polarizability: 22.68×10-24cm3; (17)Surface Tension: 53.5 dyne/cm; (18)Density: 1.473 g/cm3; (19)Flash Point: 243.2 °C; (20)Enthalpy of Vaporization: 81.35 kJ/mol; (21)Boiling Point: 478.6 °C at 760 mmHg; (22)Vapour Pressure: 1.78E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:ClC(SC[C@@H](C(=O)O)NC(=O)C)=[C@H]Cl
(2)InChI:InChI=1/C7H9Cl2NO3S/c1-4(11)10-5(7(12)13)3-14-6(9)2-8/h2,5H,3H2,1H3,(H,10,11)(H,12,13)/b6-2+/t5-/m0/s1
(3)InChIKey:LPPJGTSPIBSYQO-KDXUVAGDBD