2-Thiophenecarboxylic acid, 3-[(methylsulfonyl)amino]-, methyl ester


Chemical Name: 2-Thiophenecarboxylic acid, 3-[(methylsulfonyl)amino]-, methyl ester
CAS Number: 79128-71-5
Product Number: AG00ID0E(AGN-PC-0KLOBM)
Synonyms:
MDL No: MFCD00126700
Molecular Formula: C7H9NO4S2
Molecular Weight: 235.28066

Identification/Properties


Computed Properties
Molecular Weight:
235.272g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
234.997g/mol
Monoisotopic Mass:
234.997g/mol
Topological Polar Surface Area:
109A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
308
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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