Thioacetic acid

The Thioacetic acid, with the CAS registry number 507-09-5,is also known as Thiolacetic acid; Ethanethioic acid. It belongs to the product categories of Organic matters.Its EINECS number is 208-063-8. This chemical's molecular formula is C₂H₄OS and molecular weight is 76.11. What's more,Its systematic name is Thioacetic acid.It is a colourless fuming liquid with an unpleasant odour which is stable,flammable,incompatible with metals,strong oxidizing agents.It is used in organic chemistry for the introduction of thiol groups in molecules. In one application, it is used with AIBN in a free radical mediated nucleophilic addition to an exocyclic alkene forming a thioester.

Physical properties about Thioacetic acid are:
(1)ACD/LogP:  0.528; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  -1.03; (4)ACD/LogD (pH 7.4):  -2.75; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  1.27; (8)ACD/KOC (pH 7.4):  1.00; (9)#H bond acceptors:  1; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  0; (12)Index of Refraction:  1.442; (13)Molar Refractivity:  19.241 cm³; (14)Molar Volume:  72.717 cm³; (15)Surface Tension:  28.9309997558594 dyne/cm; (16)Density:  1.047 g/cm³; (17)Flash Point:  11.111 °C; (18)Enthalpy of Vaporization:  33.279 kJ/mol; (19)Boiling Point:  92.999 °C at 760 mmHg; (20)Vapour Pressure:  50.4099998474121 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C(S)C;
(2)Std. InChI:InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4);
(3)Std. InChIKey:DUYAAUVXQSMXQP-UHFFFAOYSA-N.

Safety Information of Thioacetic acid:
The Thioacetic acid is highly flammable and harmful if swallowed.It may causes burns.So it should keep container in a well-ventilated place and away from sources of ignition. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) .When you use 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.

The toxicity data of Thioacetic acid are as follows: