Molecular Structure of 2,3-Dihydro-8-methoxy-4H-1-benzothiopyran-4-one (CAS No.66715-59-1):
Molecular Formula: C10H10O2S
Molecular Weight: 194.2502
CAS No: 66715-59-1
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 51.6 Å2
Index of Refraction: 1.599
Molar Refractivity: 53.39 cm3
Molar Volume: 156.2 cm3
Surface Tension: 46.8 dyne/cm
Density: 1.243 g/cm3
Flash Point: 172.1 °C
Enthalpy of Vaporization: 58.81 kJ/mol
Boiling Point: 344.2 °C at 760 mmHg
Vapour Pressure: 6.7E-05 mmHg at 25°C
IUPAC Name: 8-Methoxy-2,3-dihydrothiochromen-4-one
InChI: InChI=1/C10H10O2S/c1-12-9-4-2-3-7-8(11)5-6-13-10(7)9/h2-4H,5-6H2,1H3
InChIKey: WJCTYFIAHVFXGY-UHFFFAOYAQ
Std. InChI: InChI=1S/C10H10O2S/c1-12-9-4-2-3-7-8(11)5-6-13-10(7)9/h2-4H,5-6H2,1H3
Std. InChIKey: WJCTYFIAHVFXGY-UHFFFAOYSA-N
2,3-Dihydro-8-methoxy-4H-1-benzothiopyran-4-one (CAS No.66715-59-1), its synonyms are 4H-1-Benzothiopyran-4-one, 2,3-dihydro-8-methoxy- ; 8-Methoxy-2,3-dihydro-4H-thiochromen-4-one .
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