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503818-34-6 | 1H-IMIDAZO[4,5-D][1,2,5]THIADIAZOLO[3,4-B]PYRIDINE
CAS No: 503818-34-6 Catalog No: AG006U71 MDL No:
Product Description
Catalog Number:
AG006U71
Chemical Name:
1H-IMIDAZO[4,5-D][1,2,5]THIADIAZOLO[3,4-B]PYRIDINE
CAS Number:
503818-34-6
Molecular Formula:
C6H3N5S
Molecular Weight:
177.1865
IUPAC Name:
4-thia-3,5,7,10,12-pentazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
InChI:
InChI=1S/C6H3N5S/c1-3-4(9-2-8-3)5-6(7-1)11-12-10-5/h1-2,10H
InChI Key:
BUYZZEDBJIRUDH-UHFFFAOYSA-N
SMILES:
c1nc2c(n1)c1[nH]snc1nc2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.011g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.185g/mol
Monoisotopic Mass:
177.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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