4-(1,2,3-THIADIAZOL-4-YL)PHENOL

The Phenol,4-(1,2,3-thiadiazol-4-yl)-, with CAS registry number 59834-05-8, has the systematic name of 4-(1,2,3-thiadiazol-4-yl)phenol. Besides this, it is also called 4-(1,2,3-Thiadiazol-4-yl)benzenol. And the chemical formula of this chemical is C₈H₆N₂OS.

Physical properties of Phenol,4-(1,2,3-thiadiazol-4-yl)-: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 13.05; (6)ACD/BCF (pH 7.4): 11.86; (7)ACD/KOC (pH 5.5): 218.75; (8)ACD/KOC (pH 7.4): 198.89; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.25 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 47.29 cm³; (15)Molar Volume: 129 cm³; (16)Polarizability: 18.74×10^-24cm³; (17)Surface Tension: 65.4 dyne/cm; (18)Density: 1.38 g/cm³; (19)Flash Point: 162.2 °C; (20)Enthalpy of Vaporization: 61.18 kJ/mol; (21)Boiling Point: 344.5 °C at 760 mmHg; (22)Vapour Pressure: 3.28E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Phenol,4-(1,2,3-thiadiazol-4-yl)- irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. 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: n1nscc1c2ccc(O)cc2
(2)InChI: InChI=1/C8H6N2OS/c11-7-3-1-6(2-4-7)8-5-12-10-9-8/h1-5,11H
(3)InChIKey: WZYGGUZFRLVCJT-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H6N2OS/c11-7-3-1-6(2-4-7)8-5-12-10-9-8/h1-5,11H
(5)Std. InChIKey: WZYGGUZFRLVCJT-UHFFFAOYSA-N