-
Name
Thietane-1,1-dioxide
- EINECS
- CAS No. 5687-92-3
- Article Data19
- CAS DataBase
- Density 1.368g/cm3
- Solubility
- 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
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Trimethylenesulfone (6CI,7CI,8CI); NSC 101885; Thietane dioxide
- PSA 42.52000
- LogP 0.88570
Thietane-1,1-dioxide Chemical Properties
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 Specification
Thietane-1,1-dioxide (CAS No.5687-92-3), it also can be called Trimethylene sulfone .
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