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20503-40-6

Basic Information
CAS No.: 20503-40-6
Name: 6-AMINO-1H-1LAMBDA6-BENZO[B]THIOPHENE-1,1-DIONE
Article Data: 2
Molecular Structure:
Molecular Structure of 20503-40-6 (6-AMINO-1H-1LAMBDA6-BENZO[B]THIOPHENE-1,1-DIONE)
Formula: C8H7NO2S
Molecular Weight: 181.215
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;
Density: 1.501 g/cm3
Melting Point: 150 °C
Boiling Point: 467.4 °C at 760 mmHg
Flash Point: 236.5 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 68.54000
LogP: 2.68880
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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