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CAS No.: | 58094-17-0 |
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Name: | 4,5,6,7-Tetrahydro-1-benzothiophen-4-amine |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C8H11NS |
Molecular Weight: | 153.248 |
Synonyms: | 4,5,6,7-Tetrahydro-benzo[b]thiophen-4-ylamine; |
Density: | 1.149 g/cm3 |
Boiling Point: | 258 °C at 760 mmHg |
Flash Point: | 109.8 °C |
PSA: | 54.26000 |
LogP: | 2.78450 |
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The Benzo[b]thiophen-4-amine, 4,5,6,7-tetrahydro-, with the CAS registry number 58094-17-0, is also known as 4,5,6,7-Tetrahydro-benzo[b]thiophen-4-ylamine. This chemical's molecular formula is C8H11NS and molecular weight is 153.2446. What's more, its systematic name is called 4,5,6,7-Tetrahydro-1-benzothiophen-4-amine.
Physical properties about Benzo[b]thiophen-4-amine, 4,5,6,7-tetrahydro- are: (1)ACD/LogP: 1.85; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.22; (4)ACD/LogD (pH 7.4): -0.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 31.48 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 44.97 cm3; (15)Molar Volume: 133.3 cm3; (16)Polarizability: 17.82×10-24 cm3; (17)Surface Tension: 45.6 dyne/cm; (18)Density: 1.149 g/cm3; (19)Flash Point: 109.8 °C; (20)Enthalpy of Vaporization: 49.56 kJ/mol; (21)Boiling Point: 258 °C at 760 mmHg; (22)Vapour Pressure: 0.0141 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: s1c2c(cc1)C(N)CCC2
(2) InChI: InChI=1/C8H11NS/c9-7-2-1-3-8-6(7)4-5-10-8/h4-5,7H,1-3,9H2
(3) InChIKey: VPBWFYNSOJYNJP-UHFFFAOYAS