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247-92-7 | 1,2,4-Triazolo[3,4-b]benzothiazole (9CI)
CAS No: 247-92-7 Catalog No: AG002P2H MDL No:MFCD00099327
Product Description
Catalog Number:
AG002P2H
Chemical Name:
1,2,4-Triazolo[3,4-b]benzothiazole (9CI)
CAS Number:
247-92-7
Molecular Formula:
C8H5N3S
Molecular Weight:
175.2104
MDL Number:
MFCD00099327
IUPAC Name:
[1,2,4]triazolo[3,4-b][1,3]benzothiazole
InChI:
InChI=1S/C8H5N3S/c1-2-4-7-6(3-1)11-5-9-10-8(11)12-7/h1-5H
InChI Key:
BGFURDBGMRKOTL-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n1cnnc1s2
NSC Number:
79001
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.209g/mol
Monoisotopic Mass:
175.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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