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5339-33-3

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Basic Information
CAS No.: 5339-33-3
Name: Benzo[b]thiophene-6-amine
Molecular Structure:
Molecular Structure of 5339-33-3 (Benzo[b]thiophene-6-amine)
Formula: C8H7NS
Molecular Weight: 149.216
Synonyms: 1-Benzothiophen-6-amine;
Density: 1.294 g/cm3
Melting Point: 114-115 °C
Boiling Point: 313.1 °C at 760 mmHg
Flash Point: 143.2 °C
PSA: 54.26000
LogP: 3.06470
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Specification

The Benzo[b]thiophen-6-amine, with the CAS registry number 5339-33-3, is also known as 1-Benzothiophen-6-amine. This chemical's molecular formula is C8H7NS and molecular weight is 149.2129. 

Physical properties about Benzo[b]thiophen-6-amine are: (1)ACD/LogP: 3.10; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 31.48 Å2; (7)Index of Refraction: 1.744; (8)Molar Refractivity: 46.71 cm3; (9)Molar Volume: 115.3 cm3; (10)Surface Tension: 59.3 dyne/cm; (11)Density: 1.294 g/cm3; (12)Flash Point: 143.2 °C; (13)Enthalpy of Vaporization: 55.42 kJ/mol; (14)Boiling Point: 313.1 °C at 760 mmHg; (15)Vapour Pressure: 0.000506 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: s2c1cc(ccc1cc2)N
(2) InChI: InChI=1/C8H7NS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H,9H2
(3) InChIKey: CHKYKCBEIFLRRR-UHFFFAOYAY