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Cas Database

Name	2-Thiophenamine	EINECS	N/A
CAS No.	616-46-6	Density	1.221 g/cm³
PSA	91.56000	LogP	2.54480
Solubility	N/A	Melting Point	12-13 °C(Solv: hexane (110-54-3); dichloromethane (75-09-2))
Formula	C₄H₅NS	Boiling Point	194.5 °C at 760 mmHg
Molecular Weight	99.1564	Flash Point	71.4 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	22
Molecular Structure		Hazard Symbols	Xn
Synonyms	Thiophenine(6CI);(Thiophen-2-yl)amine;2-Aminothiophene;2-Thienylamine;2-Thiophenine;NSC 118942;	Article Data	34

2-Thiophenamine Synthetic route

: 3437-95-4
2-Iodothiophene

: 616-46-6
thiophen-2-ylamine

Conditions

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%

: 56267-50-6
tert-butyl (2-thienyl)carbamate

: 616-46-6
thiophen-2-ylamine

Conditions

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;

: 609-40-5
2-nitrothiophene

: 616-46-6
thiophen-2-ylamine

Conditions

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;

: 1003-09-4
2-bromothiophene

: 616-46-6
thiophen-2-ylamine

Conditions

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%

4-(2-tetrahydropyranoxy)-2-butyl-nitrile: 4-(2-tetrahydropyranoxy)-2-butyl-nitrile

: 2365-48-2
Methyl thioglycolate

: 616-46-6
thiophen-2-ylamine

Conditions

Conditions	Yield
With sodium In methanol	48%

: 527-72-0
2-thiophenylcarboxylic acid

: 616-46-6
thiophen-2-ylamine

Conditions

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;

: 7647-01-0
hydrogenchloride

: 609-40-5
2-nitrothiophene

tin: tin

: 616-46-6
thiophen-2-ylamine

: 592489-23-1
1,3-dimethyl-2-(2-thienylimino)imidazolidine

A: 111859-85-9
thiophene-2-methylamine

B: 616-46-6
thiophen-2-ylamine

Conditions

Conditions	Yield
With lithium aluminium tetrahydride In tetrahydrofuran at 20℃; for 12h;

: 609-40-5
2-nitrothiophene

: 7439-89-6
iron

: 616-46-6
thiophen-2-ylamine

Conditions

Conditions	Yield
In acetic acid

: 4471-47-0
glyoxylonitrile

: 120-92-3
cyclopentanone

: 616-46-6
thiophen-2-ylamine

Conditions

Conditions	Yield
With hydrogen sulfide; triethylamine In methanol; ethanol

2-Thiophenamine Specification

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

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