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6623-78-5 | 2-HYDROXYBENZALDEHYDE N-(4-ACRIDINYL)THIOSEMICARBAZONE
CAS No: 6623-78-5 Catalog No: AG006OOJ MDL No:
Product Description
Catalog Number:
AG006OOJ
Chemical Name:
2-HYDROXYBENZALDEHYDE N-(4-ACRIDINYL)THIOSEMICARBAZONE
CAS Number:
6623-78-5
Molecular Formula:
C21H16N4OS
Molecular Weight:
372.4429
IUPAC Name:
1-acridin-4-yl-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea
InChI:
InChI=1S/C21H16N4OS/c26-19-11-4-2-7-16(19)13-22-25-21(27)24-18-10-5-8-15-12-14-6-1-3-9-17(14)23-20(15)18/h1-13,26H,(H2,24,25,27)/b22-13+
InChI Key:
JPBICJSUJBVKIM-LPYMAVHISA-N
SMILES:
S=C(Nc1cccc2c1nc1ccccc1c2)NN=Cc1ccccc1O
NSC Number:
55449
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
372.104g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
372.446g/mol
Monoisotopic Mass:
372.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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