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Basic Information
CAS No.: 53119-25-8
Name: 1-THIEN-2-YLPENTAN-1-ONE
Molecular Structure:
Molecular Structure of 53119-25-8 (1-THIEN-2-YLPENTAN-1-ONE)
Formula: C9H12OS
Molecular Weight: 168.26
Synonyms: 1-THIEN-2-YLPENTAN-1-ONE;1-Thien-2-ylpentan-1-one (2-Pentanoylthiophene);1-Pentanone, 1-(2-thienyl)-;1-(THIEN-2-YL)PENTAN-1-ONE 2-PENTANOYLTHIOPHENE;2-Valerylthiophene, 97%;1-(2-Thienyl)-1-pentanone;2-Thienylbutyl ketone;Butyl 2-thienyl ketone
Density: 1.051 g/cm3
Boiling Point: 262.7 °C at 760 mmHg
Flash Point: 112.7 °C
PSA: 45.31000
LogP: 3.12100
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Specification

The 2-Valerylthiophene, with the CAS registry number 53119-25-8, is also known as 1-(2-Thienyl)pentan-1-one. This chemical's molecular formula is C9H12OS and molecular weight is 168.256. Its systematic name is called 1-(thiophen-2-yl)pentan-1-one.

Physical properties of 2-Valerylthiophene: (1)ACD/LogP: 2.85; (2)ACD/LogD (pH 5.5): 2.85; (3)ACD/LogD (pH 7.4): 2.85; (4)ACD/BCF (pH 5.5): 85.85; (5)ACD/BCF (pH 7.4): 85.85; (6)ACD/KOC (pH 5.5): 842.89; (7)ACD/KOC (pH 7.4): 842.89; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 4; (10)Index of Refraction: 1.519; (11)Molar Refractivity: 48.56 cm3; (12)Molar Volume: 159.9 cm3; (13)Surface Tension: 37.1 dyne/cm; (14)Density: 1.051 g/cm3; (15)Flash Point: 112.7 °C; (16)Enthalpy of Vaporization: 50.04 kJ/mol; (17)Boiling Point: 262.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0108 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1sccc1)CCCC
(2)InChI: InChI=1/C9H12OS/c1-2-3-5-8(10)9-6-4-7-11-9/h4,6-7H,2-3,5H2,1H3
(3)InChIKey: KJMPRCVRMAHTBR-UHFFFAOYAO