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2-Aminobenzo[b]thiophene

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Name

2-Aminobenzo[b]thiophene

EINECS N/A
CAS No. 4521-30-6 Density 1.294 g/cm3
PSA 54.26000 LogP 3.06470
Solubility N/A Melting Point 115-117 °C
Formula C8H7NS Boiling Point 313.15 °C at 760 mmHg
Molecular Weight 149.0 Flash Point 143.188 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4521-30-6 (2-Aminobenzo[b]thiophene) Hazard Symbols N/A
Synonyms

Benzo[b]thiophen-2-amine;

Article Data 12

2-Aminobenzo[b]thiophene Specification

The 2-Aminobenzo[b]thiophene, with the CAS registry number of 4521-30-6, is also known as Benzo[b]thiophen-2-amine. This chemical's molecular formula is C8H7NS and molecular weight is 149.0. What's more, its systematic name is 1-Benzothiophen-2-amine.

Physical properties about the 2-Aminobenzo[bate]thiophene are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 46; (6)ACD/BCF (pH 7.4): 47; (7)ACD/KOC (pH 5.5): 534; (8)ACD/KOC (pH 7.4): 544; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.26 Å2; (13)Index of Refraction: 1.744; (14)Molar Refractivity: 46.716 cm3; (15)Molar Volume: 115.309 cm3; (16)Surface Tension: 59.387 dyne/cm; (17)Density: 1.294 g/cm3; (18)Flash Point: 143.188 °C; (19)Enthalpy of Vaporization: 55.42 kJ/mol; (20)Boiling Point: 313.15 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cc2ccccc2s1
(2) InChI: InChI=1/C8H7NS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H,9H2
(3) InChIKey: VJYJBBMMLIDJEF-UHFFFAOYAO

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