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33360-25-7 | Oxazolo[5,4-d]pyrimidine,2-methyl-7-(methylthio)-
CAS No: 33360-25-7 Catalog No: AG007FVG MDL No:
Product Description
Catalog Number:
AG007FVG
Chemical Name:
Oxazolo[5,4-d]pyrimidine,2-methyl-7-(methylthio)-
CAS Number:
33360-25-7
Molecular Formula:
C7H7N3OS
Molecular Weight:
181.2150
IUPAC Name:
2-methyl-7-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidine
InChI:
InChI=1S/C7H7N3OS/c1-4-10-5-6(11-4)8-3-9-7(5)12-2/h3H,1-2H3
InChI Key:
PUXMOMQPDHPLJZ-UHFFFAOYSA-N
SMILES:
CSc1ncnc2c1nc(o2)C
NSC Number:
137475
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.213g/mol
Monoisotopic Mass:
181.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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