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115913-34-3 | Thieno[2,3-b]quinoline-2-carbonitrile, 3-amino-
CAS No: 115913-34-3 Catalog No: AG000H3J MDL No:
Product Description
Catalog Number:
AG000H3J
Chemical Name:
Thieno[2,3-b]quinoline-2-carbonitrile, 3-amino-
CAS Number:
115913-34-3
Molecular Formula:
C12H7N3S
Molecular Weight:
225.2691
IUPAC Name:
3-aminothieno[2,3-b]quinoline-2-carbonitrile
InChI:
InChI=1S/C12H7N3S/c13-6-10-11(14)8-5-7-3-1-2-4-9(7)15-12(8)16-10/h1-5H,14H2
InChI Key:
NPYCPZFCTUEWIO-UHFFFAOYSA-N
SMILES:
N#Cc1sc2c(c1N)cc1c(n2)cccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.269g/mol
Monoisotopic Mass:
225.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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