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52006-63-0

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Basic Information
CAS No.: 52006-63-0
Name: 3-Ethylthiophene
Molecular Structure:
Molecular Structure of 52006-63-0 (3-Ethylthiophene)
Formula: C6H8S
Molecular Weight: 112.19
Synonyms: Ethylthiophene;2-Ethylthiophene;
EINECS: 217-267-6
Density: 1.004 g/cm3
Boiling Point: 134.1 °C at 760 mmHg
Flash Point: 21.1 °C
Hazard Symbols: Xn
Risk Codes: R10; R20/21/22
PSA: 28.24000
LogP: 2.31050
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Specification

The Thiophene, ethyl-, with the CAS registry number 52006-63-0, is also known as Ethylthiophene. Its molecular formula is C6H8S and its molecular weight is 112.19. Additionally, the systematic name of this chemical is 2-ethylthiophene.

Physical properties about the Thiophene, ethyl- are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/BCF (pH 5.5): 92.19; (5)ACD/KOC (pH 5.5): 887; (6)#Freely Rotating Bonds: 1; (7)Polar Surface Area: 28.24 Å2; (8)Index of Refraction: 1.524; (9)Molar Refractivity: 34.18 cm3; (10)Molar Volume: 111.7 cm3; (11)Polarizability: 13.55×10-24cm3; (12)Surface Tension: 32.6 dyne/cm; (13)Density: 1.004 g/cm3; (14)Flash Point: 21.1 °C; (15)Enthalpy of Vaporization: 35.62 kJ/mol; (16)Boiling Point: 134.1 °C at 760 mmHg; (17)Vapour Pressure: 10.1 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: s1c(ccc1)CC
2.InChI: InChI=1/C6H8S/c1-2-6-4-3-5-7-6/h3-5H,2H2,1H3
3.InChIKey: JCCCMAAJYSNBPR-UHFFFAOYAF