ethyl 3-amino-4-cyano-5-methylsulfanylthiophene-2-carboxylate


Chemical Name: ethyl 3-amino-4-cyano-5-methylsulfanylthiophene-2-carboxylate
CAS Number: 116170-90-2
Product Number: AG000BSV(AGN-PC-0JRO4B)
Synonyms:
MDL No:
Molecular Formula: C9H10N2O2S2
Molecular Weight: 242.3179

Identification/Properties


Computed Properties
Molecular Weight:
242.311g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
242.018g/mol
Monoisotopic Mass:
242.018g/mol
Topological Polar Surface Area:
130A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
289
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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