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88147-37-9 | 9(10H)-Acridinethione, 10-methyl-, trifluoroacetate
CAS No: 88147-37-9 Catalog No: AG004GCF MDL No:
Product Description
Catalog Number:
AG004GCF
Chemical Name:
9(10H)-Acridinethione, 10-methyl-, trifluoroacetate
CAS Number:
88147-37-9
Molecular Formula:
C16H12F3NO2S
Molecular Weight:
339.3322
IUPAC Name:
10-methylacridine-9-thione;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C14H11NS.C2HF3O2/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15;3-2(4,5)1(6)7/h2-9H,1H3;(H,6,7)
InChI Key:
UCZIHGKRUOWVMQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.Cn1c2ccccc2c(=S)c2c1cccc2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.054g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.332g/mol
Monoisotopic Mass:
339.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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