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CAS No.: | 214759-22-5 |
---|---|
Name: | (5-CHLOROTHIEN-2-YL)METHYLAMINE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C5H6ClNS |
Molecular Weight: | 147.628 |
Synonyms: | 2-Thiophenemethanamine,5-chloro-(9CI); |
Density: | 1.332g/cm3 |
Boiling Point: | 210.56 °C at 760 mmHg |
Flash Point: | 81.144 °C |
PSA: | 54.26000 |
LogP: | 2.56050 |
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The 2-Thiophenemethanamine,5-chloro-, with the CAS registry number of 214759-22-5, is also known as 2-Thiophenemethanamine,5-chloro-(9CI). It belongs to the product category of Halide. This chemical's molecular formula is C5H6ClNS and molecular weight is 147.63. What's more, its IUPAC name is (5-Chlorothiophen-2-yl)methanamine.
Physical properties about the 2-Thiophenemethanamine,5-chloro- are: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 4; (7)#H bond acceptors: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 54.26 Å2; (11)Index of Refraction: 1.601; (12)Molar Refractivity: 37.984 cm3; (13)Molar Volume: 110.852 cm3; (14)Surface Tension: 48.244 dyne/cm; (15)Density: 1.332 g/cm3; (16)Flash Point: 81.144 °C; (17)Enthalpy of Vaporization: 44.684 kJ/mol; (18)Boiling Point: 210.56 °C at 760 mmHg; (19)Vapour Pressure: 0.191 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1sc(cc1)CN
(2) InChI: InChI=1/C5H6ClNS/c6-5-2-1-4(3-7)8-5/h1-2H,3,7H2
(3) InChIKey: QEEXZSPDLPRZEX-UHFFFAOYAO