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CAS No.: | 143361-87-9 |
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Name: | 3-BENZOTHIAZOL-2-YL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHEN-2-YLAMINE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C15H14N2S2 |
Molecular Weight: | 286.422 |
Synonyms: | 3-(1,3-Benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine; |
Density: | 1.363 g/cm3 |
Boiling Point: | 526.9 °C at 760 mmHg |
Flash Point: | 272.5 °C |
PSA: | 95.39000 |
LogP: | 5.06700 |
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The Benzo[b]thiophen-2-amine, 3-(2-benzothiazolyl)-4, 5, 6, 7-tetrahydro-, with the CAS registry number 143361-87-9, is also known as 3-Benzothiazol-2-yl-4, 5, 6, 7-tetrahydro-benzo[b]thiophen-2-ylamine. This chemical's molecular formula is C15H14N2S2 and molecular weight is 286.4151. What's more, its IUPAC name is 3-(1, 3-Benzothiazol-2-yl)-4, 5, 6, 7-tetrahydro-1-benzothiophen-2-amine.
Physical properties about Benzo[b]thiophen-2-amine, 3-(2-benzothiazolyl)-4, 5, 6, 7-tetrahydro- are: (1)ACD/LogP: 5.38; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 72.61 Å2; (7)Index of Refraction: 1.738; (8)Molar Refractivity: 84.56 cm3; (9)Molar Volume: 210.1 cm3; (10)Polarizability: 33.52×10-24 cm3; (11)Surface Tension: 65.1 dyne/cm; (12)Density: 1.363 g/cm3; (13)Flash Point: 272.5 °C; (14)Enthalpy of Vaporization: 80.14 kJ/mol; (15)Boiling Point: 526.9 °C at 760 mmHg; (16)Vapour Pressure: 3.42E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1c4ccccc4sc1c2c3c(sc2N)CCCC3
(2) InChI: InChI=1/C15H14N2S2/c16-14-13(9-5-1-3-7-11(9)18-14)15-17-10-6-2-4-8-12(10)19-15/h2,4,6,8H,1,3,5,7,16H2
(3) InChIKey: JFFSOOBVRATNTK-UHFFFAOYAA