2-Thiophenecarboxylic acid, 5-(methylsulfonyl)-


Chemical Name: 2-Thiophenecarboxylic acid, 5-(methylsulfonyl)-
CAS Number: 60166-86-1
Product Number: AG00EB1H(AGN-PC-0KKANZ)
Synonyms:
MDL No:
Molecular Formula: C6H6O4S2
Molecular Weight: 206.2394

Identification/Properties


Computed Properties
Molecular Weight:
206.23g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
205.971g/mol
Monoisotopic Mass:
205.971g/mol
Topological Polar Surface Area:
108A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
276
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:
H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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