3-Thietanol, 1,1-dioxide


Chemical Name: 3-Thietanol, 1,1-dioxide
CAS Number: 22524-35-2
Product Number: AG006XP9(AGN-PC-0JNZE0)
Synonyms:
MDL No:
Molecular Formula: C3H6O3S
Molecular Weight: 122.1429

Identification/Properties


Computed Properties
Molecular Weight:
122.138g/mol
XLogP3:
-1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
122.004g/mol
Monoisotopic Mass:
122.004g/mol
Topological Polar Surface Area:
62.8A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
140
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:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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