[1,1'-Biphenyl]-4-carbothioamide


Chemical Name: [1,1'-Biphenyl]-4-carbothioamide
CAS Number: 13363-50-3
Product Number: AG009AZ9(AGN-PC-0NKX5U)
Synonyms:
MDL No:
Molecular Formula: C13H11NS
Molecular Weight: 213.2981

Identification/Properties


Computed Properties
Molecular Weight:
213.298g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
2
Exact Mass:
213.061g/mol
Monoisotopic Mass:
213.061g/mol
Topological Polar Surface Area:
58.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
213
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#:
3077
Hazard Statements:
H302-H318-H400
Precautionary Statements:
P273-P280-P305+P351+P338
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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