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89012-16-8 | 2H-Thiazolo[3,2-a]-1,3,5-triazine-2-thione, 4-methyl-6-phenyl-
CAS No: 89012-16-8 Catalog No: AG00438M MDL No:
Product Description
Catalog Number:
AG00438M
Chemical Name:
2H-Thiazolo[3,2-a]-1,3,5-triazine-2-thione, 4-methyl-6-phenyl-
CAS Number:
89012-16-8
Molecular Formula:
C12H9N3S2
Molecular Weight:
259.3500
IUPAC Name:
4-methyl-6-phenyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione
InChI:
InChI=1S/C12H9N3S2/c1-8-13-11(16)14-12-15(8)10(7-17-12)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
QDGVPGJXXAZHIB-UHFFFAOYSA-N
SMILES:
S=c1nc(C)n2c(n1)scc2c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.024g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.345g/mol
Monoisotopic Mass:
259.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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