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Basic Information
CAS No.: 56540-52-4
Name: 1-BENZOTHIOPHEN-5-YLMETHYLAMINE
Molecular Structure:
Molecular Structure of 56540-52-4 (1-BENZOTHIOPHEN-5-YLMETHYLAMINE)
Formula: C9H9NS
Molecular Weight: 163.243
Synonyms: 5-(Aminomethyl)benzo[b]thiophene;5-(Aminomethyl)benzothiophene;[(Benzo[b]thiophen-5-yl)methyl]amine;
Density: 1.227 g/cm3
Melting Point: 41 °C
Boiling Point: 303.9 °C at 760 mmHg
Flash Point: 137.6 °C
Hazard Symbols: CorrosiveC
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 54.26000
LogP: 3.06030
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Specification

The Benzo[b]thiophene-5-methanamine, with CAS registry number 56540-52-4, has the systematic name of 1-(1-benzothiophen-5-yl)methanamine. Besides this, it is also called 1-Benzothiophen-5-ylmethylamine. And the chemical formula of this chemical is C9H9NS.

Physical properties of Benzo[b]thiophene-5-methanamine: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/LogD (pH 7.4): 1.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.1; (7)ACD/KOC (pH 5.5): 1.31; (8)ACD/KOC (pH 7.4): 16.84; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.48 Å2; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 50.93 cm3; (15)Molar Volume: 133 cm3; (16)Polarizability: 20.19×10-24cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.227 g/cm3; (19)Flash Point: 137.6 °C; (20)Enthalpy of Vaporization: 54.42 kJ/mol; (21)Boiling Point: 303.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000907 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzo[b]thiophene-5-methanamine irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: s2c1ccc(cc1cc2)CN
(2)InChI: InChI=1/C9H9NS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H,6,10H2
(3)InChIKey: QUXRGPGYJFNJAG-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H9NS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H,6,10H2
(5)Std. InChIKey: QUXRGPGYJFNJAG-UHFFFAOYSA-N