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7673-80-5 | 1H-Pyrrolo[1,2-c]imidazol-1-one, 2,3-dihydro-2-phenyl-3-thioxo-
CAS No: 7673-80-5 Catalog No: AG008PE3 MDL No:
Product Description
Catalog Number:
AG008PE3
Chemical Name:
1H-Pyrrolo[1,2-c]imidazol-1-one, 2,3-dihydro-2-phenyl-3-thioxo-
CAS Number:
7673-80-5
Molecular Formula:
C12H8N2OS
Molecular Weight:
228.2697
IUPAC Name:
2-phenyl-3-sulfanylidenepyrrolo[1,2-c]imidazol-1-one
InChI:
InChI=1S/C12H8N2OS/c15-11-10-7-4-8-13(10)12(16)14(11)9-5-2-1-3-6-9/h1-8H
InChI Key:
CHMNGTPOXDJGCX-UHFFFAOYSA-N
SMILES:
S=c1n2cccc2c(=O)n1c1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.269g/mol
Monoisotopic Mass:
228.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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