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887269-37-6 | 2H-Imidazo[4,5-d]thiazolo[4,5-b]pyridine(9CI)
CAS No: 887269-37-6 Catalog No: AG0045MG MDL No:
Product Description
Catalog Number:
AG0045MG
Chemical Name:
2H-Imidazo[4,5-d]thiazolo[4,5-b]pyridine(9CI)
CAS Number:
887269-37-6
Molecular Formula:
C7H4N4S
Molecular Weight:
176.1985
IUPAC Name:
3-thia-5,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
InChI:
InChI=1S/C7H4N4S/c1-4-5(10-2-9-4)6-7(8-1)11-3-12-6/h1-2H,3H2
InChI Key:
RLOWKHHXRYHSJB-UHFFFAOYSA-N
SMILES:
C1N=c2c(S1)c1N=CN=c1cn2
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.016g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.197g/mol
Monoisotopic Mass:
176.016g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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