BIS(1-BENZOTRIAZOLYL)METHANETHIONE 97

The Methanethione,bis(1H-benzotriazol-1-yl)-, with the CAS registry number of 4314-19-6, is also known as Methanethione, Di-1H-1,2,3-benzotriazol-1-yl-. It belongs to the product categories of C-C Bond Formation; Others; S ynthetic Reagents. Its molecular formula is C₁₃H₈N₆S and molecular weight is 280.314. What's more, its systematic name is Bis(1H-benzotriazol-1-yl)methanethione. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

Physical properties about the Methanethione,bis(1H-benzotriazol-1-yl)- are: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3) #H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 93.51 Å²; (7)Index of Refraction: 1.859; (8)Molar Refractivity: 79.71 cm³; (9)Molar Volume: 176.9 cm³; (10)Surface Tension: 70.6 dyne/cm; (11)Density: 1.58 g/cm³; (12)Flash Point: 261.7 °C; (13)Enthalpy of Vaporization: 77.96 kJ/mol; (14)Boiling Point: 509.1 °C at 760 mmHg; (15)Vapour Pressure: 1.75E-10 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: 
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(n1nnc2ccccc12)n4nnc3ccccc34
(2) InChI: InChI=1/C13H8N6S/c20-13(18-11-7-3-1-5-9(11)14-16-18)19-12-8-4-2-6-10(12)15-17-19/h1-8H
(3) InChIKey: ZRXHYHZENMJKMG-UHFFFAOYAB