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33360-26-8 | 7-(methylsulfanyl)-2-phenyl[1,3]oxazolo[5,4-d]pyrimidine
CAS No: 33360-26-8 Catalog No: AG007FVF MDL No:
Product Description
Catalog Number:
AG007FVF
Chemical Name:
7-(methylsulfanyl)-2-phenyl[1,3]oxazolo[5,4-d]pyrimidine
CAS Number:
33360-26-8
Molecular Formula:
C12H9N3OS
Molecular Weight:
243.2844
IUPAC Name:
7-methylsulfanyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine
InChI:
InChI=1S/C12H9N3OS/c1-17-12-9-11(13-7-14-12)16-10(15-9)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
GRRJNJWGBIGIMB-UHFFFAOYSA-N
SMILES:
CSc1ncnc2c1nc(o2)c1ccccc1
NSC Number:
137483
Properties
Complexity:
260
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:
2
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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