2-Propenoic acid, 2-cyano-3,3-bis(methylthio)-, ethyl ester


Chemical Name: 2-Propenoic acid, 2-cyano-3,3-bis(methylthio)-, ethyl ester
CAS Number: 17823-58-4
Product Number: AG0025UL(AGN-PC-0KKFZH)
Synonyms:
MDL No:
Molecular Formula: C8H11NO2S2
Molecular Weight: 217.3084

Identification/Properties


Properties
MP:
58 °C
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
217.301g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
217.023g/mol
Monoisotopic Mass:
217.023g/mol
Topological Polar Surface Area:
101A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
259
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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