3-CARBOXYPROPYL DISULFIDE

The 4,4'-Dithiodibutyric acid, with the CAS registry number 2906-60-7, is also known as Di(4-carboxybutyl) disulfide. Its EINECS registry number is 220-818-3. This chemical's molecular formula is C₈H₁₄O₄S₂ and molecular weight is 238.32. What's more, its IUPAC name is called 4-(3-Carboxypropyldisulfanyl)butanoic acid. It should be stored in a cool dry environment. Its appearance is beige to light brown fine crystalline powder.

Physical properties about this chemical are: (1)ACD/LogP: 1.82; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.05; (4)ACD/LogD (pH 7.4): -2.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.17; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 103.2 Å²; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 58.23 cm³; (15)Molar Volume: 177.7 cm³; (16)Surface Tension: 60.2 dyne/cm; (17)Density: 1.34 g/cm³; (18)Flash Point: 236.3 °C; (19)Enthalpy of Vaporization: 79.88 kJ/mol; (20)Boiling Point: 467.1 °C at 760 mmHg; (21)Vapour Pressure: 5.1E-10 mmHg at 25 °C; (22)Melting Point: 108-110 °C.

Uses of 4,4'-Dithiodibutyric acid: it is used to produce other chemicals. For example, it is used to produce 3-(2-Benzimidazolyl)propyl disulfide dihydrochloride.

The reaction occurs with reagent conc. HCl and solvent H₂O at the condition of heating. The yield is 49.5%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. And 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)CCCSSCCCC(=O)O
(2) InChI: InChI=1/C8H14O4S2/c9-7(10)3-1-5-13-14-6-2-4-8(11)12/h1-6H2,(H,9,10)(H,11,12)
(3) InChIKey: YYSCJLLOWOUSHH-UHFFFAOYAA