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88281-85-0 | 4H-Thiazolo[2,3-c][1,2,4]triazin-4-one, 3-methyl-6-phenyl-
CAS No: 88281-85-0 Catalog No: AG004A9E MDL No:
Product Description
Catalog Number:
AG004A9E
Chemical Name:
4H-Thiazolo[2,3-c][1,2,4]triazin-4-one, 3-methyl-6-phenyl-
CAS Number:
88281-85-0
Molecular Formula:
C12H9N3OS
Molecular Weight:
243.2844
IUPAC Name:
3-methyl-6-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
InChI:
InChI=1S/C12H9N3OS/c1-8-11(16)15-10(7-17-12(15)14-13-8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
WEVUIHPIOVSWPC-UHFFFAOYSA-N
SMILES:
Cc1nnc2n(c1=O)c(cs2)c1ccccc1
Properties
Complexity:
447
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:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.284g/mol
Monoisotopic Mass:
243.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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