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119959-49-8 | Thiourea, N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-N'-phenyl-
CAS No: 119959-49-8 Catalog No: AG000PX3 MDL No:
Product Description
Catalog Number:
AG000PX3
Chemical Name:
Thiourea, N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-N'-phenyl-
CAS Number:
119959-49-8
Molecular Formula:
C21H14N2O2S
Molecular Weight:
358.4131
IUPAC Name:
1-(9,10-dioxoanthracen-1-yl)-3-phenylthiourea
InChI:
InChI=1S/C21H14N2O2S/c24-19-14-9-4-5-10-15(14)20(25)18-16(19)11-6-12-17(18)23-21(26)22-13-7-2-1-3-8-13/h1-12H,(H2,22,23,26)
InChI Key:
GHMZKBZEDZSAQG-UHFFFAOYSA-N
SMILES:
S=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)Nc1ccccc1
Properties
Complexity:
572
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.078g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.415g/mol
Monoisotopic Mass:
358.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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