Captopril disulfide supplier | CasNO.64806-05-9

Name
CAPTOPRIL DISULFIDE
EINECS
CAS No. 64806-05-9
Article Data2
CAS DataBase
Density 1.383 g/cm³
Solubility
Melting Point 224-226°C
Formula C₁₈H₂₈N₂O₆S₂
Boiling Point 714.796 °C at 760 mmHg
Molecular Weight 432.562
Flash Point 386.095 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Proline,1,1'-[dithiobis(2-methyl-1-oxo-3,1-propanediyl)]bis-, [S-(R*,R*)]-;CAPTOPRDS;Captopril disulfide;SQ 14551;
PSA 165.82000
LogP 1.66700

Captopril disulfide Specification

The Captopril disulfide with the cas number 64806-05-9, is also called L-Proline,1,1'-[dithiobis(2-methyl-1-oxo-3,1-propanediyl)]bis-, [S-(R*,R*)]-. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -4; (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: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 165.82 Å²; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 107.046 cm³; (15)Molar Volume: 312.738 cm³; (16)Polarizability: 42.436×10^-24cm³; (17)Surface Tension: 67.408 dyne/cm; (18)Enthalpy of Vaporization: 113.787 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C .

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H]2N(C(=O)[C@H](C)CSSC[C@H](C(=O)N1[C@H](C(=O)O)CCC1)C)CCC2
(2)InChI: InChI=1/C18H28N2O6S2/c1-11(15(21)19-7-3-5-13(19)17(23)24)9-27-28-10-12(2)16(22)20-8-4-6-14(20)18(25)26/h11-14H,3-10H2,1-2H3,(H,23,24)(H,25,26)/t11-,12-,13+,14+/m1/s1

Product Name

CAPTOPRIL DISULFIDE

Captopril disulfide Specification

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