Carbamimidothioic acid, N-cyano-N'-(3-methylphenyl)-, methyl ester


Chemical Name: Carbamimidothioic acid, N-cyano-N'-(3-methylphenyl)-, methyl ester
CAS Number: 21504-97-2
Product Number: AG007QA0(AGN-PC-0JM8RL)
Synonyms:
MDL No:
Molecular Formula: C10H11N3S
Molecular Weight: 205.2794

Identification/Properties


Computed Properties
Molecular Weight:
205.279g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
205.067g/mol
Monoisotopic Mass:
205.067g/mol
Topological Polar Surface Area:
73.5A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
253
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

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NMR Spectrum


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