1H-Pyrrolo[1,2-c]imidazol-1-one, hexahydro-2-phenyl-3-thioxo-


Chemical Name: 1H-Pyrrolo[1,2-c]imidazol-1-one, hexahydro-2-phenyl-3-thioxo-
CAS Number: 4333-21-5
Product Number: AG003U0N(AGN-PC-0JLCEY)
Synonyms:
MDL No:
Molecular Formula: C12H12N2OS
Molecular Weight: 232.30148

Identification/Properties


Properties
MP:
179°C
Form:
Solid
Computed Properties
Molecular Weight:
232.301g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
232.067g/mol
Monoisotopic Mass:
232.067g/mol
Topological Polar Surface Area:
55.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
325
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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