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41814-44-2 | 1,2,4-Triazolo[3,4-b]benzothiazol-3(2H)-one
CAS No: 41814-44-2 Catalog No: AG00CAUL MDL No:
Product Description
Catalog Number:
AG00CAUL
Chemical Name:
1,2,4-Triazolo[3,4-b]benzothiazol-3(2H)-one
CAS Number:
41814-44-2
IUPAC Name:
2H-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-one
InChI:
InChI=1S/C8H5N3OS/c12-7-9-10-8-11(7)5-3-1-2-4-6(5)13-8/h1-4H,(H,9,12)
InChI Key:
RZPKDNCGEMIECC-UHFFFAOYSA-N
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.208g/mol
Monoisotopic Mass:
191.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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