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Basic Information
CAS No.: 13678-69-8
Name: 1-(2-thienyl)propane-1,2-dione
Article Data: 3
Molecular Structure:
Molecular Structure of 13678-69-8 (1-(2-thienyl)propane-1,2-dione)
Formula: C7H6O2S
Molecular Weight: 154.189
Synonyms: (2-Thienyl)-1-propane-1,2-dione;1-(2-Thienyl)-1,2-propanedione;1-(Thiophen-2-yl)propane-1,2-dione;
EINECS: 237-174-4
Density: 1.242 g/cm3
Melting Point: 46-47 °C
Boiling Point: 237.6 °C at 760 mmHg
Flash Point: 97.5 °C
PSA: 62.38000
LogP: 1.51980
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Specification

The 1,2-Propanedione,1-(2-thienyl)-, with the CAS registry number 13678-69-8, is also known as 1-(2-Thienyl)propane-1,2-dione. Its EINECS number is 237-174-4. This chemical's molecular formula is C7H6O2S and molecular weight is 154.19. What's more, its systematic name is 1-(Thiophen-2-yl)propane-1,2-dione. 

Physical properties of 1,2-Propanedione,1-(2-thienyl)- are: (1)ACD/LogP: 0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.5; (4)ACD/LogD (pH 7.4): 0.5; (5)ACD/BCF (pH 5.5): 1.4; (6)ACD/BCF (pH 7.4): 1.4; (7)ACD/KOC (pH 5.5): 44.31; (8)ACD/KOC (pH 7.4): 44.31; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 62.38 Å2; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 39.32 cm3; (15)Molar Volume: 124 cm3; (16)Polarizability: 15.59×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.242 g/cm3; (19)Flash Point: 97.5 °C; (20)Enthalpy of Vaporization: 47.44 kJ/mol; (21)Boiling Point: 237.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0445 mmHg at 25°C.

Uses of 1,2-Propanedione,1-(2-thienyl)-: it can be used to produce 2-methyl-3-thiophen-2-yl-5,6,7,8-tetrahydro-quinoxaline 1,4-dioxide at the temperature of 20 °C. It will need solvent ethanol with the reaction time of 12 hours. The yield is about 74%.

1,2-Propanedione,1-(2-thienyl)- can be used to produce 2-methyl-3-thiophen-2-yl-5,6,7,8-tetrahydro-quinoxaline 1,4-dioxide at the temperature of 20 °C

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(=O)c1sccc1)C
(2)InChI: InChI=1S/C7H6O2S/c1-5(8)7(9)6-3-2-4-10-6/h2-4H,1H3
(3)InChIKey: FDYDDUUWFJQMQC-UHFFFAOYSA-N