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180178-22-7 | 2H-Pyrazolo[4,3-e]benzothiazole (9CI)
CAS No: 180178-22-7 Catalog No: AG0021R9 MDL No:
Product Description
Catalog Number:
AG0021R9
Chemical Name:
2H-Pyrazolo[4,3-e]benzothiazole (9CI)
CAS Number:
180178-22-7
Molecular Formula:
C8H5N3S
Molecular Weight:
175.2104
IUPAC Name:
2H-pyrazolo[4,3-e][1,3]benzothiazole
InChI:
InChI=1S/C8H5N3S/c1-2-7-8(9-4-12-7)5-3-10-11-6(1)5/h1-3H,4H2
InChI Key:
RUVGAGPVSWQCHV-UHFFFAOYSA-N
SMILES:
N1=Nc2c(=C1)c1=NCSc1cc2
Properties
Complexity:
399
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:
4
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:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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