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Benzo[b]thiophen-6-amine,1,1-dioxide

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Name

Benzo[b]thiophen-6-amine,1,1-dioxide

EINECS N/A
CAS No. 20503-40-6 Density 1.501 g/cm3
PSA 68.54000 LogP 2.68880
Solubility N/A Melting Point 150 °C
Formula C8H7NO2S Boiling Point 467.4 °C at 760 mmHg
Molecular Weight 181.215 Flash Point 236.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 20503-40-6 (6-AMINO-1H-1LAMBDA6-BENZO[B]THIOPHENE-1,1-DIONE) Hazard Symbols IrritantXi
Synonyms

(1,1-Dioxobenzothiophen-6-yl)amine;1,1-Dioxo-1H-benzo[b]thiophen-6-ylamine;6-Amino-1,1-dioxobenzo[b]thiophene;6-Aminobenzo[b]thiophene 1,1-dioxide;6-Aminobenzothiophene-1,1-dioxide;

Article Data 2

Benzo[b]thiophen-6-amine,1,1-dioxide Specification

The Benzo[b]thiophen-6-amine,1,1-dioxide, with the CAS registry number 20503-40-6, is also known as 6-Amino-1,1-Dioxobenzo[B]Thiophene. This chemical's molecular formula is C8H7NO2S and molecular weight is 181.2117. Its systematic name is called 1-benzothiophen-6-amine 1,1-dioxide.

Physical properties of Benzo[b]thiophen-6-amine,1,1-dioxide: (1)ACD/LogP: 0.25; (2)ACD/LogD (pH 5.5): 0.25; (3)ACD/LogD (pH 7.4): 0.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 32.68; (7)ACD/KOC (pH 7.4): 32.69; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.693; (12)Molar Refractivity: 46.3 cm3; (13)Molar Volume: 120.6 cm3; (14)Surface Tension: 65.4 dyne/cm; (15)Density: 1.501 g/cm3; (16)Flash Point: 236.5 °C; (17)Enthalpy of Vaporization: 72.93 kJ/mol; (18)Boiling Point: 467.4 °C at 760 mmHg; (19)Vapour Pressure: 6.55E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S/2(=O)c1cc(ccc1\C=C\2)N
(2)InChI: InChI=1/C8H7NO2S/c9-7-2-1-6-3-4-12(10,11)8(6)5-7/h1-5H,9H2
(3)InChIKey: KRUCRVZSHWOMHC-UHFFFAOYAP

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