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90656-72-7 | 5H-Thiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile, 9-methyl-5-thioxo-
CAS No: 90656-72-7 Catalog No: AG006NVD MDL No:
Product Description
Catalog Number:
AG006NVD
Chemical Name:
5H-Thiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile, 9-methyl-5-thioxo-
CAS Number:
90656-72-7
Molecular Formula:
C12H7N3S2
Molecular Weight:
257.3341
IUPAC Name:
9-methyl-5-sulfanylidene-[1,3]thiazolo[3,2-a][1,8]naphthyridine-6-carbonitrile
InChI:
InChI=1S/C12H7N3S2/c1-7-6-17-12-9(5-13)10(16)8-3-2-4-14-11(8)15(7)12/h2-4,6H,1H3
InChI Key:
QCZPHQKGNZRDAO-UHFFFAOYSA-N
SMILES:
N#Cc1c(=S)c2cccnc2n2c1scc2C
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.008g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.329g/mol
Monoisotopic Mass:
257.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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