3,3'-Dithiodipropionic acid (1119-62-6)

The 3,3'-Dithiodipropionic acid with the CAS number 1119-62-6 is also called Propanoic acid,3,3'-dithiobis-. Its molecular formula is C₆H₁₀O₄S₂. The EINECS registry number is 214-284-0. The product category is Aromatic Propionic Acids. This chemical is white powder.

The properties of the 3,3'-Dithiodipropionic acid are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.16; (4)ACD/LogD (pH 7.4): -3.35; (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: 7; (12)Polar Surface Area: 103.2Ų; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 48.96 cm³; (15)Molar Volume: 144.7 cm³; (16)Polarizability: 19.41×10^-24cm³; (17)Surface Tension: 68 dyne/cm; (18)Enthalpy of Vaporization: 75.3 kJ/mol; (19)Vapour Pressure: 1.23×10^-8 mmHg at 25°C.

Preparation: This chemical can be prepared by 3-mercapto-propionic acid. This reaction needs reagent aqueous hydrogen peroxide and iron (II)-sulfate.

Uses: This chemical can react with N-Trifluoromethyl-N-nitrosobenzenesulfonamide to prepare 3-(Trifluormethylthio)propionsaeure. This reaction needs reagent biacetyl and solvent acetone. The reaction time is 3.5 hours. The yield is 50%. This reaction need irradiation.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCSSCCC(=O)O
(2)InChI: InChI=1/C6H10O4S2/c7-5(8)1-3-11-12-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
(3)InChIKey: YCLSOMLVSHPPFV-UHFFFAOYAV