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CAS No.: | 21181-94-2 |
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Name: | 2-{[2-(pyridin-2-yl)ethyl]sulfanyl}-1,3-benzothiazole |
Molecular Structure: | |
Formula: | C14H12N2S2 |
Molecular Weight: | 272.3885 |
Density: | 1.31 g/cm3 |
Boiling Point: | 439.2 °C at 760 mmHg |
Flash Point: | 219.4 °C |
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This chemical is called 2-(2-Pyridin-2-ylethylsulfanyl)benzothiazole, and its IUPAC name is 2-(2-pyridin-2-ylethylsulfanyl)-1,3-benzothiazole. With the molecular formula of C14H12N2S2, its molecular weight is 272.3885. The CAS registry number of this chemical is 21181-94-2.
Other characteristics of the 2-(2-Pyridin-2-ylethylsulfanyl)benzothiazole can be summarised as followings: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 79.32 Å2; (7)Index of Refraction: 1.7; (8)Molar Refractivity: 80.03 cm3; (9)Molar Volume: 206.8 cm3; (10)Polarizability: 31.72×10-24cm3; (11)Surface Tension: 66.5 dyne/cm; (12)Density: 1.31 g/cm3; (13)Flash Point: 219.4 °C; (14)Enthalpy of Vaporization: 66.93 kJ/mol; (15)Boiling Point: 439.2 °C at 760 mmHg; (16)Vapour Pressure: 1.67E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1c3ccccc3sc1SCCc2ncccc2
2.InChI: InChI=1/C14H12N2S2/c1-2-7-13-12(6-1)16-14(18-13)17-10-8-11-5-3-4-9-15-11/h1-7,9H,8,10H2
3.InChIKey: WVFDNLKTPXHTCJ-UHFFFAOYAC