3(2H)-Thiophenone, dihydro-, 1,1-dioxide


Chemical Name: 3(2H)-Thiophenone, dihydro-, 1,1-dioxide
CAS Number: 17115-51-4
Product Number: AG00AC9A(AGN-PC-0LNHBE)
Synonyms:
MDL No: MFCD00154869
Molecular Formula: C4H6O3S
Molecular Weight: 134.1536

Identification/Properties


Computed Properties
Molecular Weight:
134.149g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
134.004g/mol
Monoisotopic Mass:
134.004g/mol
Topological Polar Surface Area:
59.6A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
196
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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