2,3-Butanediol,1,4-dimercapto-, (2R,3S)-rel- (6892-68-8)

The Dithioerythritol , with cas registry number of 6892-68-8, belongs to the categories of Pharmaceutical Intermediates; Antioxidant; Biochemistry; Erythrose; O-Substituted Sugars; Sugar Alcohols; Sugars. Its BRN registry number is 1719756. Its IUPAC name is called 1,4-bis(sulfanyl)butane-2,3-diol . Its systematic name is named as 1,4-disulfanylbutane-2,3-diol .

Physical properties about this chemical are: (1) ACD/LogP: 0.07 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 0.07 ; (4) ACD/LogD (pH 7.4): 0.06 ; (5) ACD/BCF (pH 5.5): 1 ; (6) ACD/BCF (pH 7.4): 1 ; (7) ACD/KOC (pH 5.5): 25.89 ; (8) ACD/KOC (pH 7.4): 25.59 ; (9) #H bond acceptors: 2 ; (10) #H bond donors: 2 ; (11) #Freely Rotating Bonds: 7 ; (12) Index of Refraction: 1.579 ; (13) Molar Refractivity: 39.36 cm³ ; (14) Molar Volume: 118.4 cm³ ; (15) Surface Tension: 55.5 dyne/cm; (16) Density: 1.302 g/cm³ ; (17) Flash Point: 174.2 °C ; (18) Enthalpy of Vaporization: 70.67 kJ/mol ; (19) Boiling Point: 364.5 °C at 760 mmHg ; (20) Vapour Pressure: 8.68E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is sensitive to air. It is a poison by intramuscular route. When heated to decomposition, it emits acrid smoke and irritating vapors. It is irritating to eyes, respiratory system and skin and harmful if swallowed. Wear suitable protective clothing, suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. After use it, store at the temperature of 2-8°C.

You can still convert the following datas into molecular structure:
(1)SMILES:SCC(O)C(O)CS;
(2)InChI:InChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2 ;
(3)InChIKey:VHJLVAABSRFDPM-UHFFFAOYAZ

The toxicity data is as follows:

Reported in EPA TSCA Inventory.