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169147-51-7 | 1H-Benzo[de]thiazolo[5,4-g]isoquinoline (9CI)
CAS No: 169147-51-7 Catalog No: AG001YI6 MDL No:
Product Description
Catalog Number:
AG001YI6
Chemical Name:
1H-Benzo[de]thiazolo[5,4-g]isoquinoline (9CI)
CAS Number:
169147-51-7
Molecular Formula:
C13H8N2S
Molecular Weight:
224.2810
IUPAC Name:
11-thia-3,13-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,4,6,9(16),10(14),12-heptaene
InChI:
InChI=1S/C13H8N2S/c1-2-8-5-14-6-9-4-11-13(16-7-15-11)10(3-1)12(8)9/h1-2,4-7H,3H2
InChI Key:
IUPRSBHXHNFRJA-UHFFFAOYSA-N
SMILES:
C1=Cc2cncc3c2c(C1)c1scnc1c3
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.041g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.281g/mol
Monoisotopic Mass:
224.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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