1H-Tetrazole,5-(methylthio)-1-phenyl- (1455-92-1)

The 5-(Methylthio)-1-phenyl-1H-tetrazole, with cas registry number 1455-92-1, has the systematic name of 5-(methylsulfanyl)-1-phenyl-1H-tetrazole. And its IUPAC name is 5-methylsulfanyl-1-phenyltetrazole. Besides this, it is also called 1H-tetrazole, 5-(methylthio)-1-phenyl-.

Physical properties about this chemical are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 68.9 Å²; (7)Index of Refraction: 1.697; (8)Molar Refractivity: 55.05 cm³; (9)Molar Volume: 142.8 cm³; (10)Polarizability: 21.82×10^-24cm³; (11)Surface Tension: 54.9 dyne/cm; (12)Enthalpy of Vaporization: 60.92 kJ/mol; (13)Vapour Pressure: 1.84E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: n2nnn(c1ccccc1)c2SC
(2)InChI: InChI=1/C8H8N4S/c1-13-8-9-10-11-12(8)7-5-3-2-4-6-7/h2-6H,1H3
(3)InChIKey: RPXUSEGLHQMSIM-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H8N4S/c1-13-8-9-10-11-12(8)7-5-3-2-4-6-7/h2-6H,1H3
(5)Std. InChIKey: RPXUSEGLHQMSIM-UHFFFAOYSA-N