5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole


Chemical Name: 5-(1H-Pyrrol-1-yl)-2-mercaptobenzimidazole
CAS Number: 172152-53-3
Product Number: AG00APU6(AGN-PC-0O4V4I)
Synonyms:
MDL No:
Molecular Formula: C11H9N3S
Molecular Weight: 215.27426

Identification/Properties


Properties
MP:
>270°C (dec.)
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
215.274g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
215.052g/mol
Monoisotopic Mass:
215.052g/mol
Topological Polar Surface Area:
61.1A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
263
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:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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