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89331-34-0 | 9(10H)-Acridinone, 1-amino-4-(ethylthio)-
CAS No: 89331-34-0 Catalog No: AG003YEJ MDL No:
Product Description
Catalog Number:
AG003YEJ
Chemical Name:
9(10H)-Acridinone, 1-amino-4-(ethylthio)-
CAS Number:
89331-34-0
Molecular Formula:
C15H14N2OS
Molecular Weight:
270.3495
IUPAC Name:
1-amino-4-ethylsulfanyl-10H-acridin-9-one
InChI:
InChI=1S/C15H14N2OS/c1-2-19-12-8-7-10(16)13-14(12)17-11-6-4-3-5-9(11)15(13)18/h3-8H,2,16H2,1H3,(H,17,18)
InChI Key:
JKDQZBGSIZMPOH-UHFFFAOYSA-N
SMILES:
CCSc1ccc(c2c1[nH]c1ccccc1c2=O)N
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.35g/mol
Monoisotopic Mass:
270.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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