D-Cysteine,S-(triphenylmethyl)- supplier

Name
S-Trityl-D-cysteine
EINECS
CAS No. 25840-82-8
Article Data3
CAS DataBase
Density 1.232 g/cm³
Solubility Sparingly soluble in water 0.022 g/L 25°C.
Melting Point
Formula C₂₂H₂₁NO₂S
Boiling Point 524.7 °C at 760 mmHg
Molecular Weight 363.48
Flash Point 271.2 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes 22
Molecular Structure
Hazard Symbols
Synonyms Alanine,3-(tritylthio)-, D- (8CI);S-Trityl-D-cysteine;
PSA 88.62000
LogP 4.82390

D-Cysteine,S-(triphenylmethyl)- Specification

The D-Cysteine,S-(triphenylmethyl)-, with the CAS registry number 25840-82-8, is also known as S-Trityl-D-cysteine and 2-Amino-3-[tri(phenyl)methylsulfanyl]propanoic acid. This chemical's molecular formula is C₂₂H₂₁NO₂S and molecular weight is 363.4726. What's more, its IUPAC name is 2-Amino-3-tritylsulfanylpropanoic acid and its systematic name is S-Tritylcysteine.

Physical properties about D-Cysteine,S-(triphenylmethyl) are: (1)ACD/LogP: 5.56; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 31.52; (6)ACD/BCF (pH 7.4): 31.17; (7)ACD/KOC (pH 5.5): 80.16; (8)ACD/KOC (pH 7.4): 79.25; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 54.84 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 106.49 cm³; (15)Molar Volume: 294.9 cm³; (16)Polarizability: 42.21×10^-24cm³; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.232 g/cm³; (19)Flash Point: 271.2 °C; (20)Enthalpy of Vaporization: 84.08 kJ/mol; (21)Boiling Point: 524.7 °C at 760 mmHg; (22)Vapour Pressure: 7.71E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(N)CSC(c1ccccc1)(c2ccccc2)c3ccccc3
(2) InChI: InChI=1/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)
(3) InChIKey: DLMYFMLKORXJPO-UHFFFAOYAP

Product Name

S-Trityl-D-cysteine

D-Cysteine,S-(triphenylmethyl)- Specification

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