Molecular Structure of 2-Furancarbothioic acid (CAS No.4741-45-1):
Molecular Formula: C5H4O2S
Molecular Weight: 128.1491
CAS No: 4741-45-1
Systematic Name: Furan-2-carbothioic S-acid
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 55.51 Å2
Index of Refraction: 1.541
Molar Refractivity: 31.84 cm3
Molar Volume: 101.2 cm3
Surface Tension: 42.4 dyne/cm
Density: 1.265 g/cm3
Flash Point: 71.2 °C
Enthalpy of Vaporization: 43.02 kJ/mol
Boiling Point: 194 °C at 760 mmHg
Vapour Pressure: 0.45 mmHg at 25°C
InChI: InChI=1/C5H4O2S/c6-5(8)4-2-1-3-7-4/h1-3H,(H,6,8)
InChIKey: KXXALFSFISKXFX-UHFFFAOYAV
Std. InChI: InChI=1S/C5H4O2S/c6-5(8)4-2-1-3-7-4/h1-3H,(H,6,8)
Std. InChIKey: KXXALFSFISKXFX-UHFFFAOYSA-N
2-Furancarbothioic acid (CAS No.4741-45-1), its synonyms are 2-(Mercaptocarbonyl)furan; 2-Thiofuroic acid; Furyl-2-carbonylthiol ; Furan-2-carbothioic S-acid .
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