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88594-61-0 | Oxazolo[4,5-b]pyridine, 2-[(3-pyridinylmethyl)thio]-
CAS No: 88594-61-0 Catalog No: AG008BB0 MDL No:
Product Description
Catalog Number:
AG008BB0
Chemical Name:
Oxazolo[4,5-b]pyridine, 2-[(3-pyridinylmethyl)thio]-
CAS Number:
88594-61-0
Molecular Formula:
C12H9N3OS
Molecular Weight:
243.2844
IUPAC Name:
2-(pyridin-3-ylmethylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine
InChI:
InChI=1S/C12H9N3OS/c1-3-9(7-13-5-1)8-17-12-15-11-10(16-12)4-2-6-14-11/h1-7H,8H2
InChI Key:
CYERDEKLXXNLRL-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)CSc1nc2c(o1)cccn2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.284g/mol
Monoisotopic Mass:
243.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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