4-MERCAPTOPHENYLACETIC ACID

The Benzeneacetic acid,4-mercapto- is an organic compound with the formula C₈H₈O₂S. The systematic name of this chemical is (4-sulfanylphenyl)acetic acid. With the CAS registry number 39161-84-7, it is also named as 2-(4-mercaptophenyl)acetic acid. The product's categories are Aromatic Phenylacetic Acids and Derivatives; Intermediates; Sulfur & Selenium Compounds; Organic Building Blocks; Sulfur Compounds; Thiols/Mercaptans. Besides, it is a white powder, which should be stored in a closed cool and dry place.

Physical properties about Benzeneacetic acid,4-mercapto- are: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 5.5): 0.58; (3)ACD/LogD (pH 7.4): ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.54; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 51.6 Å²; (12)Index of Refraction: 1.62; (13)Molar Refractivity: 45.54 cm³; (14)Molar Volume: 129.4 cm³; (15)Polarizability: 18.05×10^-24cm³; (16)Surface Tension: 55.9 dyne/cm; (17)Density: 1.299 g/cm³; (18)Flash Point: 157 °C; (19)Enthalpy of Vaporization: 61.12 kJ/mol; (20)Boiling Point: 336 °C at 760 mmHg; (21)Vapour Pressure: 4.54E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is risk of serious damage to eyes. Besides, this chemical is irritating to respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, 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)Cc1ccc(S)cc1
(2)InChI: InChI=1/C8H8O2S/c9-8(10)5-6-1-3-7(11)4-2-6/h1-4,11H,5H2,(H,9,10)
(3)InChIKey: ORXSLDYRYTVAPC-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H8O2S/c9-8(10)5-6-1-3-7(11)4-2-6/h1-4,11H,5H2,(H,9,10)
(5)Std. InChIKey: ORXSLDYRYTVAPC-UHFFFAOYSA-N