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50382-14-4

Basic Information
CAS No.: 50382-14-4
Name: 1-(3,5-DIMETHYL-2-THIENYL)ETHAN-1-ONE
Molecular Structure:
Molecular Structure of 50382-14-4 (1-(3,5-DIMETHYL-2-THIENYL)ETHAN-1-ONE)
Formula: C8H10OS
Molecular Weight: 154.233
Synonyms: Ketone,3,5-dimethyl-2-thienyl methyl (6CI);1-(3,5-Dimethyl-2-thienyl)ethan-1-one;2-Acetyl-3,5-dimethylthiophene;
EINECS: 256-570-8
Density: 1.078 g/cm3
Boiling Point: 250.4 °C at 760 mmHg
Flash Point: 105.3 °C
PSA: 45.31000
LogP: 2.56750
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Specification

The CAS register number of Ethanone,1-(3,5-dimethyl-2-thienyl)- is 50382-14-4. It also can be called as 2-Acetyl-3,5-dimethylthiophene and the IUPAC name about this chemical is 1-(3,5-dimethylthiophen-2-yl)ethanone. The molecular formula about this chemical is C8H10OS and the molecular weight is 154.23. The hazard class of this chemical is harmful.

Physical properties about Ethanone,1-(3,5-dimethyl-2-thienyl)- are: (1)ACD/LogP: 2.17; (2)ACD/LogD (pH 5.5): 2.17; (3)ACD/LogD (pH 7.4): 2.17; (4)ACD/BCF (pH 5.5): 26.4; (5)ACD/BCF (pH 7.4): 26.4; (6)ACD/KOC (pH 5.5): 362.39; (7)ACD/KOC (pH 7.4): 362.39; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.31 Å2; (11)Index of Refraction: 1.532; (12)Molar Refractivity: 44.31 cm3; (13)Molar Volume: 142.9 cm3; (14)Polarizability: 17.56x10-24cm3; (15)Surface Tension: 36.2 dyne/cm; (16)Density: 1.078 g/cm3; (17)Flash Point: 105.3 °C; (18)Enthalpy of Vaporization: 48.77 kJ/mol; (19)Boiling Point: 250.4 °C at 760 mmHg; (20)Vapour Pressure: 0.0217 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1sc(cc1C)C)C
(2)InChI: InChI=1/C8H10OS/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3
(3)InChIKey: FMKRVVWJCNTZMK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H10OS/c1-5-4-6(2)10-8(5)7(3)9/h4H,1-3H3
(5)Std. InChIKey: FMKRVVWJCNTZMK-UHFFFAOYSA-N