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CAS No.: | 31968-33-9 |
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Name: | 2-ACETYL-3-AMINOTHIOPHENE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H7NOS |
Molecular Weight: | 141.194 |
Synonyms: | Ketone,3-amino-2-thienyl methyl (8CI);1-(3-Aminothien-2-yl)ethanone;2-Acetyl-3-aminothiophene;1-(3-aminothiophen-2-yl)ethanone;1-(3-Amino-2-thienyl)ethan-1-one;2-Acetylthiophene-3-amine;ethanone, 1-(3-amino-2-thienyl)-; |
Density: | 1.252 g/cm3 |
Melting Point: | 84-88°C |
Boiling Point: | 323.9 °C at 760 mmHg |
Flash Point: | 149.7 °C |
Solubility: | Insoluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | 20/21/22 |
Safety: | 22-36/37 |
PSA: | 71.33000 |
LogP: | 2.11410 |
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The Ethanone,1-(3-amino-2-thienyl)-, with the CAS registry number 31968-33-9, has the systematic name of 1-(3-aminothiophen-2-yl)ethanone. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H7NOS.
The characteristics of Ethanone,1-(3-amino-2-thienyl)- are as followings: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 4.87; (6)ACD/BCF (pH 7.4): 4.88; (7)ACD/KOC (pH 5.5): 108.15; (8)ACD/KOC (pH 7.4): 108.18; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.55 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 38.9 cm3; (15)Molar Volume: 112.7 cm3; (16)Polarizability: 15.42×10-24cm3; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.252 g/cm3; (19)Flash Point: 149.7 °C; (20)Enthalpy of Vaporization: 56.59 kJ/mol; (21)Boiling Point: 323.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000254 mmHg at 25°C.
Uses of Ethanone,1-(3-amino-2-thienyl)-: It can react with succinic acid anhydride to produce N-[(2-acetyl-3-thienyl)]-2,5-pyrrolidinedione. This reaction will need menstruum neat (no solvent). The reaction time is 6 hours with temperature of 185°C, and the yield is about 46%.
You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Do not breathe dust and wear suitable protective clothing and gloves.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1sccc1N)C
(2)InChI: InChI=1/C6H7NOS/c1-4(8)6-5(7)2-3-9-6/h2-3H,7H2,1H3
(3)InChIKey: MMLSKDGCLMDHAJ-UHFFFAOYAB