2-Thiophenecarboxylic acid, 4-cyano-5-(methylthio)-, ethyl ester


Chemical Name: 2-Thiophenecarboxylic acid, 4-cyano-5-(methylthio)-, ethyl ester
CAS Number: 116170-84-4
Product Number: AG000BSX(AGN-PC-0JWHM5)
Synonyms:
MDL No:
Molecular Formula: C9H9NO2S2
Molecular Weight: 227.3033

Identification/Properties


Properties
MP:
98-100 °C
BP:
370.2 °C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
227.296g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
227.007g/mol
Monoisotopic Mass:
227.007g/mol
Topological Polar Surface Area:
104A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
261
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


NMR Spectrum


Other Analytical Data


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