Thietane, 1,1-dioxide


Chemical Name: Thietane, 1,1-dioxide
CAS Number: 5687-92-3
Product Number: AG003US5(AGN-PC-0JNZEG)
Synonyms:
MDL No:
Molecular Formula: C3H6O2S
Molecular Weight: 106.1435

Identification/Properties


Properties
MP:
72.0 to 76.0 °C
BP:
506.3°C
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.5156
Computed Properties
Molecular Weight:
106.139g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
106.009g/mol
Monoisotopic Mass:
106.009g/mol
Topological Polar Surface Area:
42.5A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
117
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H317-H319
Precautionary Statements:
P305+P351+P338-P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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