Ethanone,1-(3-amino-2-thienyl)- supplier

Name
2-ACETYL-3-AMINOTHIOPHENE
EINECS
CAS No. 31968-33-9
Article Data3
CAS DataBase
Density 1.252 g/cm³
Solubility Insoluble in water.
Melting Point 84-88°C
Formula C₆H₇NOS
Boiling Point 323.9 °C at 760 mmHg
Molecular Weight 141.194
Flash Point 149.7 °C
Transport Information
Appearance
Safety 22-36/37
Risk Codes 20/21/22
Molecular Structure
Hazard Symbols Xi
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)-;
PSA 71.33000
LogP 2.11410

Ethanone,1-(3-amino-2-thienyl)- Specification

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

Product Name

2-ACETYL-3-AMINOTHIOPHENE

Ethanone,1-(3-amino-2-thienyl)- Specification

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