Acetic acid,2-(2-pyrimidinylthio)-

Superiority:

The Acetic acid,2-(2-pyrimidinylthio)-, with CAS registry number 88768-45-0, belongs to the following product categories: (1)Pyridines, Pyrimidines, Purines and Pteredines; (2)Building Blocks; (3)Heterocyclic Building Blocks; (4)Pyrimidines. It has the systematic name of (pyrimidin-2-ylsulfanyl)acetic acid. This chemical is a kind of beige to light brown powder. 

Physical properties of Acetic acid,2-(2-pyrimidinylthio)-: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.86; (4)ACD/LogD (pH 7.4): -3.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 77.38 Å²; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 41.27 cm³; (15)Molar Volume: 117.4 cm³; (16)Polarizability: 16.36×10^-24cm³; (17)Surface Tension: 78.2 dyne/cm; (18)Enthalpy of Vaporization: 63.45 kJ/mol; (19)Vapour Pressure: 1.09E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Acetic acid,2-(2-pyrimidinylthio)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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)CSc1ncccn1
(2)InChI: InChI=1/C6H6N2O2S/c9-5(10)4-11-6-7-2-1-3-8-6/h1-3H,4H2,(H,9,10)
(3)InChIKey: NIEOYUNNKKAQKI-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H6N2O2S/c9-5(10)4-11-6-7-2-1-3-8-6/h1-3H,4H2,(H,9,10)
(5)Std. InChIKey: NIEOYUNNKKAQKI-UHFFFAOYSA-N