Propanoicacid, 3-mercapto-

Reported in EPA TSCA Inventory.

The CAS registry number of 3-Mercaptopropionic acid is 107-96-0. Its EINECS registry number is 203-537-0. The IUPAC name is 3-sulfanylpropanoic acid. In addition, the molecular formula is C₃H₆O₂S. What's more, it is an inhibitor of glutamate decarboxylase. It can decrease the gamma-aminobutyric acid concentration in the brain. And it can be used as pharmaceutical intermediates, antioxidants, catalysts, biochemical reagents, and a stabilizer for PVC.

Physical properties about this chemical are: (1)ACD/LogP: 0.38; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.105; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 76.1 Ų; (10)Index of Refraction: 1.498; (11)Molar Refractivity: 25.408 cm³; (12)Molar Volume: 86.729 cm³; (13)Polarizability: 10.073 ×10^-24cm³; (14)Surface Tension: 45.426 dyne/cm; (15)Density: 1.224 g/cm³; (16)Flash Point: 100.737 °C; (17)Enthalpy of Vaporization: 49.994 kJ/mol; (18)Boiling Point: 217.363 °C at 760 mmHg; (19)Vapour Pressure: 0.051 mmHg at 25°C.

Preparation of 3-Mercaptopropionic acid: it can be prepared by propenenitril and sulfaurea. At first, sulfaurea should react with hydrochloric acid for 0.5 hour at temperature of 40 °C. Then add propenenitril into the mixture and react for 3 hours at temperature of 110-113 °C. Next, cool the reaction product to 40 °C. And then after a series of neutralization by sodium hydroxide, dehydrogenation for 4 hours, neutralization by hydrochloric acid, extraction by benzene and vacuum distillation you can get the desired product.

Uses of 3-Mercaptopropionic acid: it can react with diphenyl-ditelluride to get 2-carboxyethanethiophenyltellurium(II). This reaction will need solvent ethanol. The reaction time is 24 hours with ambient temperature. The yield is about 35%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. And it is toxic by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. And in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). You should keep container tightly closed after using it.

You can still convert the following datas into molecular structure:
(1)SMILES: C(CS)C(=O)O
(2)InChI: InChI=1/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
(3)InChIKey: DKIDEFUBRARXTE-UHFFFAOYAR

The toxicity data is as follows: