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15953-83-0

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Basic Information
CAS No.: 15953-83-0
Name: 3-Chlorothietane-1,1-dioxide
Article Data: 4
Molecular Structure:
Molecular Structure of 15953-83-0 (3-Chlorothietane-1,1-dioxide)
Formula: C3H5 Cl O2 S
Molecular Weight: 140.591
Synonyms: 3-Chlorothietane1,1-dioxide; NSC 101856
Density: 1.53g/cm3
Melting Point: 136.5-137.5 °C
Boiling Point: 359.7°C at 760 mmHg
Flash Point: 171.4°C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 42.52000
LogP: 1.10300
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Chemistry


IUPAC Name: 3-Chlorothietane 1,1-dioxide
Canonical SMILES: C1C(CS1(=O)=O)Cl
InChI: InChI=1S/C3H5ClO2S/c4-3-1-7(5,6)2-3/h3H,1-2H2
InChIKey: MHGRPTSHTMXAKQ-UHFFFAOYSA-N
Molecular Weight: 140.5886 [g/mol]
Molecular Formula: C3H5ClO2S
XLogP3-AA: 0
H-Bond Donor: 0
H-Bond Acceptor: 2
Rotatable Bond Count: 0
Exact Mass: 139.969878
MonoIsotopic Mass: 139.969878
Topological Polar Surface Area: 34.1
Heavy Atom Count: 7
Complexity: 142
Index of Refraction: 1.512
Molar Refractivity: 27.51 cm3
Molar Volume: 91.5 cm3
Surface Tension: 44.9 dyne/cm
Density: 1.53 g/cm3
Flash Point: 171.4 °C
Enthalpy of Vaporization: 58.15 kJ/mol
Boiling Point: 359.7 °C at 760 mmHg
Vapour Pressure of 3-Chlorothietane-1,1-dioxide (CAS NO.15953-83-0): 4.83E-05 mmHg at 25 °C

Specification

 3-Chlorothietane-1,1-dioxide (CAS NO.15953-83-0), its Synonym is Thietane, 3-chloro-, 1,1-dioxide .