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19993-96-5 | 1,2,4-Triazolo[3,4-b]benzothiazole, 3-phenyl-
CAS No: 19993-96-5 Catalog No: AG002CGR MDL No:
Product Description
Catalog Number:
AG002CGR
Chemical Name:
1,2,4-Triazolo[3,4-b]benzothiazole, 3-phenyl-
CAS Number:
19993-96-5
Molecular Formula:
C14H9N3S
Molecular Weight:
251.3064
IUPAC Name:
1-phenyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
InChI:
InChI=1S/C14H9N3S/c1-2-6-10(7-3-1)13-15-16-14-17(13)11-8-4-5-9-12(11)18-14/h1-9H
InChI Key:
KDTJMEXGCZZEOX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nnc2n1c1ccccc1s2
NSC Number:
365415
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.307g/mol
Monoisotopic Mass:
251.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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