The 3-Thiopheneethanamine,hydrochloride (1:1), with the CAS registry number 34843-84-0, is also known as 2-(3-Thienyl)ethanamine hydrochloride. This chemical's molecular formula is C6H10ClNS and molecular weight is 163.67. What's more, its systematic name is 2-(thiophen-3-yl)ethanamine hydrochloride (1:1).
Physical properties of 3-Thiopheneethanamine,hydrochloride (1:1) are: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/KOC (pH 5.5): 1; (5)#H bond acceptors: 1; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 54.26 Å2; (9)Flash Point: 101.2 °C; (10)Enthalpy of Vaporization: 49.05 kJ/mol; (11)Boiling Point: 243.7 °C at 760 mmHg; (12)Vapour Pressure: 0.0253 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.NCCc1ccsc1
(2)InChI: InChI=1S/C6H9NS.ClH/c7-3-1-6-2-4-8-5-6;/h2,4-5H,1,3,7H2;1H
(3)InChIKey: PYUCPHDVJORSMA-UHFFFAOYSA-N
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