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131720-83-7 | Thiourea, N-9-acridinyl-N'-(4-methylphenyl)-
CAS No: 131720-83-7 Catalog No: AG000ZMS MDL No:
Product Description
Catalog Number:
AG000ZMS
Chemical Name:
Thiourea, N-9-acridinyl-N'-(4-methylphenyl)-
CAS Number:
131720-83-7
Molecular Formula:
C21H17N3S
Molecular Weight:
343.4448
IUPAC Name:
1-acridin-9-yl-3-(4-methylphenyl)thiourea
InChI:
InChI=1S/C21H17N3S/c1-14-10-12-15(13-11-14)22-21(25)24-20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3,(H2,22,23,24,25)
InChI Key:
LQXDDRGYXIKXCO-UHFFFAOYSA-N
SMILES:
S=C(Nc1c2ccccc2nc2c1cccc2)Nc1ccc(cc1)C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.114g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
343.448g/mol
Monoisotopic Mass:
343.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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