Molecular Structure of 3-Methoxythioanisole (CAS NO.2388-74-1):
IUPAC Name: 1-methoxy-3-methylsulfanylbenzene
Empirical Formula: C8H10OS
Molecular Weight: 154.2294
H bond acceptors: 1
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 34.53Å2
Index of Refraction: 1.553
Molar Refractivity: 45.75 cm3
Molar Volume: 142.7 cm3
Surface Tension: 38 dyne/cm
Density: 1.08 g/cm3
Flash Point: 93 °C
Enthalpy of Vaporization: 44.79 kJ/mol
Boiling Point: 230.2 °C at 760 mmHg
Vapour Pressure: 0.101 mmHg at 25°C
SMILES: O(c1cc(SC)ccc1)C
InChI: InChI=1/C8H10OS/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3
Hazard Codes: Xi
HazardClass: Irritant, Stench
3-Methoxythioanisole , with CAS number of 2388-74-1, can be called Anisole,m-(methylthio)- (6CI,7CI,8CI) ; 1-Methoxy-3-(methylthio)benzene ; 3-(Methylthio)-1-methoxybenzene ; 3-Methoxyphenyl methylsulfide ; Methyl 3-methoxyphenyl sulfide ; m-Methoxyphenylmethyl sulfide ; m-Anisyl methyl sulfide .
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