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Benzo[b]thiophen-4-amine, 4,5,6,7-tetrahydro-

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Name

Benzo[b]thiophen-4-amine, 4,5,6,7-tetrahydro-

EINECS N/A
CAS No. 58094-17-0 Density 1.149 g/cm3
PSA 54.26000 LogP 2.78450
Solubility N/A Melting Point N/A
Formula C8H11NS Boiling Point 258 °C at 760 mmHg
Molecular Weight 153.248 Flash Point 109.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 58094-17-0 (4,5,6,7-Tetrahydro-1-benzothiophen-4-amine) Hazard Symbols N/A
Synonyms

4,5,6,7-Tetrahydro-benzo[b]thiophen-4-ylamine;

Article Data 9

Benzo[b]thiophen-4-amine, 4,5,6,7-tetrahydro- Specification

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

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