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89012-17-9 | 2H-Thiazolo[3,2-a]-1,3,5-triazine-2-thione, 4-phenyl-
CAS No: 89012-17-9 Catalog No: AG0088CK MDL No:
Product Description
Catalog Number:
AG0088CK
Chemical Name:
2H-Thiazolo[3,2-a]-1,3,5-triazine-2-thione, 4-phenyl-
CAS Number:
89012-17-9
Molecular Formula:
C11H7N3S2
Molecular Weight:
245.3234
IUPAC Name:
4-phenyl-[1,3]thiazolo[3,2-a][1,3,5]triazine-2-thione
InChI:
InChI=1S/C11H7N3S2/c15-10-12-9(8-4-2-1-3-5-8)14-6-7-16-11(14)13-10/h1-7H
InChI Key:
GOGCZQCNWLKZBV-UHFFFAOYSA-N
SMILES:
S=c1nc2sccn2c(n1)c1ccccc1
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.008g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.318g/mol
Monoisotopic Mass:
245.008g/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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