Molecular Structure of 2-tert-Butylthiophene (CAS No.1689-78-7):
Molecular Formula: C8H12S
Molecular Weight: 140.24588
CAS No: 1689-78-7
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 28.24 Å2
Index of Refraction: 1.502
Molar Refractivity: 43.02 cm3
Molar Volume: 145.6 cm3
Surface Tension: 29.2 dyne/cm
Density: 0.963 g/cm3
Flash Point: 37.7 °C
Enthalpy of Vaporization: 38.95 kJ/mol
Boiling Point: 169.8 °C at 760 mmHg
Vapour Pressure: 2.01 mmHg at 25°C
IUPAC Name: 2-tert-Butylthiophene
Canonical SMILES: CC(C)(C)C1=CC=CS1
InChI: InChI=1S/C8H12S/c1-8(2,3)7-5-4-6-9-7/h4-6H,1-3H3
InChIKey: SWCDOJGIOCVXFM-UHFFFAOYSA-N
Product Categories: Heterocycles series;Thiophene&Benzothiophene
2-tert-Butylthiophene (CAS No.1689-78-7), it also can be called Thiophene, 2-(1,1-dimethylethyl)- ; Thiophene, 2-tert-butyl- .
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