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Basic Information
CAS No.: 331766-69-9
Name: N-Methyl-(2-bromothien-3-yl)methylamine
Molecular Structure:
Molecular Structure of 331766-69-9 (N-Methyl-(2-bromothien-3-yl)methylamine)
Formula: C6H8BrNS
Molecular Weight: 206.1
Synonyms: N-Methyl-(2-bromothien-3-yl)methylamine;1-(2-bromo-3-thienyl)-N-methyl-methanamine;
Density: 1.507g/cm3
Boiling Point: 229.7 °C at 760 mmHg
Flash Point: 92.7 °C
Hazard Symbols: CorrosiveC
Risk Codes: 22
PSA: 40.27000
LogP: 2.62090
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Specification

The 2-Bromo-3-[methyl(aminomethyl)]thiophene, with the CAS registry number 331766-69-9, is also known as N-Methyl-(2-bromothien-3-yl)methylamine. This chemical's molecular formula is C6H8BrNS and molecular weight is 206.1. What's more, its systematic name is 1-(2-bromo-3-thienyl)-N-methyl-methanamine.

Physical properties of 2-Bromo-3-[methyl(aminomethyl)]thiophene are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 40.27 Å2; (7)Index of Refraction: 1.579; (8)Molar Refractivity: 45.47 cm3; (9)Molar Volume: 136.7 cm3; (10)Polarizability: 18.02×10-24cm3; (11)Surface Tension: 40.7 dyne/cm; (12)Density: 1.507 g/cm3; (13)Flash Point: 92.7 °C; (14)Enthalpy of Vaporization: 46.64 kJ/mol; (15)Boiling Point: 229.7 °C at 760 mmHg; (16)Vapour Pressure: 0.0684 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CNCc1ccsc1Br
(2)InChI: InChI=1S/C6H8BrNS/c1-8-4-5-2-3-9-6(5)7/h2-3,8H,4H2,1H3
(3)InChIKey: FOIBDCULRFTGJL-UHFFFAOYSA-N