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115164-24-4 | Thiazolo[5,4-d]pyrimidine, 5-phenoxy-
CAS No: 115164-24-4 Catalog No: AG000GCQ MDL No:
Product Description
Catalog Number:
AG000GCQ
Chemical Name:
Thiazolo[5,4-d]pyrimidine, 5-phenoxy-
CAS Number:
115164-24-4
Molecular Formula:
C11H7N3OS
Molecular Weight:
229.2578
IUPAC Name:
5-phenoxy-[1,3]thiazolo[5,4-d]pyrimidine
InChI:
InChI=1S/C11H7N3OS/c1-2-4-8(5-3-1)15-11-12-6-9-10(14-11)16-7-13-9/h1-7H
InChI Key:
YSSCYQWZXRMYPA-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Oc1ncc2c(n1)scn2
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.257g/mol
Monoisotopic Mass:
229.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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