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| CAS No.: | 64806-05-9 |
|---|---|
| Name: | CAPTOPRIL DISULFIDE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C18H28N2O6S2 |
| Molecular Weight: | 432.562 |
| Synonyms: | L-Proline,1,1'-[dithiobis(2-methyl-1-oxo-3,1-propanediyl)]bis-, [S-(R*,R*)]-;CAPTOPRDS;Captopril disulfide;SQ 14551; |
| Density: | 1.383 g/cm3 |
| Melting Point: | 224-226°C |
| Boiling Point: | 714.796 °C at 760 mmHg |
| Flash Point: | 386.095 °C |
| PSA: | 165.82000 |
| LogP: | 1.66700 |
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- Total:18 Page 1 of 1 1
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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