1H-Benzimidazole-2-ethanethioamide


Chemical Name: 1H-Benzimidazole-2-ethanethioamide
CAS Number: 61689-98-3
Product Number: AG00EJAJ(AGN-PC-0LK97O)
Synonyms:
MDL No:
Molecular Formula: C9H9N3S
Molecular Weight: 191.2529

Identification/Properties


Properties
MP:
171-173℃
BP:
466.4°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
191.252g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
191.052g/mol
Monoisotopic Mass:
191.052g/mol
Topological Polar Surface Area:
86.8A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
207
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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