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89730-67-6 | Thiazolo[5,4-e]-1,2,4-triazine, 6-methyl-3-phenyl-
CAS No: 89730-67-6 Catalog No: AG0087PB MDL No:
Product Description
Catalog Number:
AG0087PB
Chemical Name:
Thiazolo[5,4-e]-1,2,4-triazine, 6-methyl-3-phenyl-
CAS Number:
89730-67-6
Molecular Formula:
C11H8N4S
Molecular Weight:
228.2730
IUPAC Name:
6-methyl-3-phenyl-[1,3]thiazolo[5,4-e][1,2,4]triazine
InChI:
InChI=1S/C11H8N4S/c1-7-12-10-11(16-7)13-9(14-15-10)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
WPJILONOMJOAKZ-UHFFFAOYSA-N
SMILES:
Cc1nc2c(s1)nc(nn2)c1ccccc1
NSC Number:
606696
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.273g/mol
Monoisotopic Mass:
228.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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