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CAS No.: | 24619-05-4 |
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Name: | 5,5'-dithiodisalicylic acid |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C14H10O6S2 |
Molecular Weight: | 338.362 |
Synonyms: | Salicylicacid, 5,5'-dithiodi- (6CI,8CI);5,5'-Dithiobis(2-hydroxybenzoic acid);Bis(3-carboxy-4-hydroxyphenyl) disulfide; |
EINECS: | 246-360-4 |
Density: | 1.75 g/cm3 |
Boiling Point: | 603.6 °C at 760 mmHg |
Flash Point: | 318.9 °C |
PSA: | 165.66000 |
LogP: | 3.29360 |
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The Benzoic acid,3,3'-dithiobis[6-hydroxy- (9CI), also known as 5,5'-Dithiodisalicylic acid, is the organic compound with the formula C14H10O6S2. Its EINECS registry number is 246-360-4. With the CAS registry number 24619-05-4, its systematic name is 3,3'-disulfanediylbis(6-hydroxybenzoic acid).
Physical properties of Benzoic acid,3,3'-dithiobis[6-hydroxy- (9CI): (1)ACD/LogP: 4.06; (2)ACD/LogD (pH 5.5): -0.09; (3)ACD/LogD (pH 7.4): -0.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.806; (12)Molar Refractivity: 83.09 cm3; (13)Molar Volume: 193.1 cm3; (14)Surface Tension: 115.7 dyne/cm; (15)Density: 1.75 g/cm3; (16)Flash Point: 318.9 °C; (17)Enthalpy of Vaporization: 94.4 kJ/mol; (18)Boiling Point: 603.6 °C at 760 mmHg; (19)Vapour Pressure: 2.02E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cc(SSc1cc(c(O)cc1)C(=O)O)ccc2O
(2)InChI: InChI=1/C14H10O6S2/c15-11-3-1-7(5-9(11)13(17)18)21-22-8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20)
(3)InChIKey: IPIOEZKHDKHTNT-UHFFFAOYAR