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869741-77-5 | 1H-Imidazo[4,5-b]thieno[2,3-e]pyridine (9CI)
CAS No: 869741-77-5 Catalog No: AG004KTM MDL No:
Product Description
Catalog Number:
AG004KTM
Chemical Name:
1H-Imidazo[4,5-b]thieno[2,3-e]pyridine (9CI)
CAS Number:
869741-77-5
Molecular Formula:
C8H5N3S
Molecular Weight:
175.2104
IUPAC Name:
10-thia-2,4,6-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene
InChI:
InChI=1S/C8H5N3S/c1-2-12-7-3-6-8(10-4-9-6)11-5(1)7/h1-4H,(H,9,10,11)
InChI Key:
UBWGBRKCSCDRQI-UHFFFAOYSA-N
SMILES:
c1cc2c(s1)cc1c(n2)nc[nH]1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.209g/mol
Monoisotopic Mass:
175.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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