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13896-97-4 | Ethanone, 2-(6-phenanthridinylthio)-1-phenyl-
CAS No: 13896-97-4 Catalog No: AG0019XI MDL No:
Product Description
Catalog Number:
AG0019XI
Chemical Name:
Ethanone, 2-(6-phenanthridinylthio)-1-phenyl-
CAS Number:
13896-97-4
Molecular Formula:
C21H15NOS
Molecular Weight:
329.4149
IUPAC Name:
2-phenanthridin-6-ylsulfanyl-1-phenylethanone
InChI:
InChI=1S/C21H15NOS/c23-20(15-8-2-1-3-9-15)14-24-21-18-12-5-4-10-16(18)17-11-6-7-13-19(17)22-21/h1-13H,14H2
InChI Key:
QRANKYBGAVSGHQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CSc1nc2ccccc2c2c1cccc2
NSC Number:
98905
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.087g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.417g/mol
Monoisotopic Mass:
329.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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