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Name |
Thietane-1,1-dioxide |
EINECS | N/A |
CAS No. | 5687-92-3 | Density | 1.368g/cm3 |
PSA | 42.52000 | LogP | 0.88570 |
Solubility | N/A | Melting Point |
72.0 to 76.0 °C |
Formula | C3H6 O2 S | Boiling Point | 506.3°Cat760mmHg |
Molecular Weight | 106.145 | Flash Point | 402.5°C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Trimethylenesulfone (6CI,7CI,8CI); NSC 101885; Thietane dioxide |
Article Data | 19 |
Molecular Structure of Thietane-1,1-dioxide (CAS No.5687-92-3):
Molecular Formula: C3H6O2S
Molecular Weight: 106.14
CAS No: 5687-92-3
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 42.52 Å2
Index of Refraction: 1.497
Molar Refractivity: 22.7 cm3
Molar Volume: 77.5 cm3
Surface Tension: 38.1 dyne/cm
Density: 1.368 g/cm3
Flash Point: 402.5 °C
Enthalpy of Vaporization: 74.68 kJ/mol
Boiling Point: 506.3 °C at 760 mmHg
Vapour Pressure: 7.09E-10 mmHg at 25°C
IUPAC Name: Thietane 1,1-dioxide
Canonical SMILES: C1CS(=O)(=O)C1
InChI: InChI=1S/C3H6O2S/c4-6(5)2-1-3-6/h1-3H2
InChIKey: FCFMKFHUNDYKEG-UHFFFAOYSA-N
Thietane-1,1-dioxide (CAS No.5687-92-3), it also can be called Trimethylene sulfone .