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


Chemical Name: 2-Propenoic acid, 2-cyano-3,3-bis(methylthio)-, methyl ester
CAS Number: 3490-92-4
Product Number: AG00C08V(AGN-PC-0JOYEW)
Synonyms:
MDL No:
Molecular Formula: C7H9NO2S2
Molecular Weight: 203.2819

Identification/Properties


Computed Properties
Molecular Weight:
203.274g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
203.007g/mol
Monoisotopic Mass:
203.007g/mol
Topological Polar Surface Area:
101A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
245
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:
Danger
UN#:
2811
Hazard Statements:
H301-H302-H311-H312-H332
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P310-P301+P312-P302+P352-P304+P340-P312-P321-P322-P330-P361-P363-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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