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CAS No.: | 616-46-6 |
---|---|
Name: | 2-Thiophenamine |
Article Data: | 34 |
Molecular Structure: | |
Formula: | C4H5NS |
Molecular Weight: | 99.1564 |
Synonyms: | Thiophenine(6CI);(Thiophen-2-yl)amine;2-Aminothiophene;2-Thienylamine;2-Thiophenine;NSC 118942; |
Density: | 1.221 g/cm3 |
Melting Point: | 12-13 °C(Solv: hexane (110-54-3); dichloromethane (75-09-2)) |
Boiling Point: | 194.5 °C at 760 mmHg |
Flash Point: | 71.4 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 91.56000 |
LogP: | 2.54480 |
Conditions | Yield |
---|---|
With copper(l) iodide; ascorbic acid In ammonia at 25℃; for 18h; liquid NH3; | 99% |
With copper(l) iodide; ammonia; potassium carbonate; L-proline In water; dimethyl sulfoxide at 25℃; for 12h; Inert atmosphere; | 50% |
With copper(l) iodide; ammonia; sodium phosphate In water at 100℃; for 15h; | 50% |
With copper(l) iodide; ammonia; potassium carbonate; L-proline In water; dimethyl sulfoxide at 60℃; for 12h; Inert atmosphere; | 20% |
tert-butyl (2-thienyl)carbamate
thiophen-2-ylamine
Conditions | Yield |
---|---|
With hydrogenchloride In 1,4-dioxane at 50℃; for 2h; | 96% |
With hydrogenchloride In 1,4-dioxane at 50℃; for 2h; | 96% |
With hydrogenchloride In diethyl ether at 20℃; for 0.5h; |
Conditions | Yield |
---|---|
With triethylamine In water at 80℃; for 4h; Inert atmosphere; Green chemistry; chemoselective reaction; | 91% |
With sodium tetrahydroborate; copper In water at 80℃; for 0.133333h; Green chemistry; | 90% |
With potassium fluoride; polymethylhydrosiloxane; palladium diacetate In tetrahydrofuran; water at 20℃; for 0.5h; |
Conditions | Yield |
---|---|
With C24H32N2*ClCu; ammonia; potassium carbonate In 1-methyl-pyrrolidin-2-one; methanol at 90℃; under 5171.62 Torr; for 24h; Inert atmosphere; | 88% |
Conditions | Yield |
---|---|
With sodium In methanol | 48% |
Conditions | Yield |
---|---|
With polystyrene Wang resin; diphenylphosphoranyl azide; triethylamine; trifluoroacetic acid 1.) toluene, 100 deg C, 16 h, 2.) CH2Cl2, 5 min; Yield given; Multistep reaction; |
1,3-dimethyl-2-(2-thienylimino)imidazolidine
A
thiophene-2-methylamine
B
thiophen-2-ylamine
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 12h; |
Conditions | Yield |
---|---|
In acetic acid |
Conditions | Yield |
---|---|
With hydrogen sulfide; triethylamine In methanol; ethanol |
The 2-Thiophenamine, with the CAS registry number of 616-46-6, is also known as 2-Aminothiophene and 2-Thienylamine. This chemical's molecular formula is C4H5NS and molecular weight is 99.15. What's more, its IUPAC name is Thiophen-2-amine.
Physical properties about 2-Thiophenamine are: (1)ACD/LogP: 0.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.61; (4)ACD/LogD (pH 7.4): 0.61; (5)ACD/BCF (pH 5.5): 1.72; (6)ACD/BCF (pH 7.4): 1.73; (7)ACD/KOC (pH 5.5): 51.37; (8)ACD/KOC (pH 7.4): 51.42; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 31.48 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 28.87 cm3; (15)Molar Volume: 81.1 cm3; (16)Polarizability: 11.44×10-24 cm3; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.221 g/cm3; (19)Flash Point: 71.4 °C; (20)Enthalpy of Vaporization: 43.07 kJ/mol; (21)Boiling Point: 194.5 °C at 760 mmHg; (22)Vapour Pressure: 0.441 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: s1c(N)ccc1
(2) InChI: InChI=1/C4H5NS/c5-4-2-1-3-6-4/h1-3H,5H2
(3) InChIKey: GLQWRXYOTXRDNH-UHFFFAOYAK