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Home > Imidazoles > 81703-65-3
81703-65-3 | 1H-Pyrrolo[1,2-c]imidazol-1-one,hexahydro-6-hydroxy-2-phenyl-3-thioxo-
CAS No: 81703-65-3 Catalog No: AG005J0O MDL No:
Product Description
Catalog Number:
AG005J0O
Chemical Name:
1H-Pyrrolo[1,2-c]imidazol-1-one,hexahydro-6-hydroxy-2-phenyl-3-thioxo-
CAS Number:
81703-65-3
Molecular Formula:
C12H12N2O2S
Molecular Weight:
248.3009
IUPAC Name:
6-hydroxy-2-phenyl-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
InChI:
InChI=1S/C12H12N2O2S/c15-9-6-10-11(16)14(12(17)13(10)7-9)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2
InChI Key:
FVSSRXSXSBLAOD-UHFFFAOYSA-N
SMILES:
OC1CN2C(C1)C(=O)N(C2=S)c1ccccc1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.3g/mol
Monoisotopic Mass:
248.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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