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126543-43-9

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Basic Information
CAS No.: 126543-43-9
Name: N-acetyl-(2,2-dichlorovinyl)cysteine
Molecular Structure:
Molecular Structure of 126543-43-9 (N-acetyl-(2,2-dichlorovinyl)cysteine)
Formula: C7H9Cl2NO3S
Molecular Weight: 258.125
Synonyms: N-Acetyl-S-(2,2-dichloroethenyl)-L-cysteine;
Density: 1.473 g/cm3
Melting Point: 96-99°C
Boiling Point: 448.9 °C at 760 mmHg
Flash Point: 225.3 °C
PSA: 96.41000
LogP: 1.49440
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  • N-Acetyl-S-(2,2-dichloroethenyl)-L-cysteine

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    N-Acetyl-S-(2,2-dichloroethenyl)-L-cysteine

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  • N-Acetyl-S-(2,2-dichloroethenyl)-L-cysteine

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    N-Acetyl-S-(2,2-dichloroethenyl)-L-cysteine

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    FINETECH INDUSTRY LIMITED is a LONDON based CRO company providing drug discovery & development services to worldwide clients. FINETECH INDUSTRY LIMITED supplies the N-Acetyl-S-(2,2-dichloroethenyl)-L-cysteine, CAS:126543-43-9 with the most competitiv

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Specification

The L-Cysteine,N-acetyl-S-(2,2-dichloroethenyl)-, with the CAS registry number 126543-43-9, is also known as N-Acetyl-S-(2,2-dichloroethenyl)-L-cysteine. This chemical's molecular formula is C7H9Cl2NO3S and molecular weight is 258.12. What's more, its IUPAC name is (2R)-2-acetamido-3-(2,2-dichloroethenylsulfanyl)propanoic acid.

Physical properties of L-Cysteine,N-acetyl-S-(2,2-dichloroethenyl)- are: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.75; (4)ACD/LogD (pH 7.4): -2.84; (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: 225.3 °C; (20)Enthalpy of Vaporization: 77.55 kJ/mol; (21)Boiling Point: 448.9 °C at 760 mmHg; (22)Vapour Pressure: 2.62E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl/C(Cl)=C/SC[C@H](NC(=O)C)C(=O)O
(2)Std. InChI: InChI=1S/C7H9Cl2NO3S/c1-4(11)10-5(7(12)13)2-14-3-6(8)9/h3,5H,2H2,1H3,(H,10,11)(H,12,13)/t5-/m0/s1
(3)Std. InChIKey: VDYGORWCAPEHPX-YFKPBYRVSA-N