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88730-89-6 | 2H-[1,2,4,6]Thiatriazino[2,3-a]benzimidazole(9CI)
CAS No: 88730-89-6 Catalog No: AG0045J5 MDL No:
Product Description
Catalog Number:
AG0045J5
Chemical Name:
2H-[1,2,4,6]Thiatriazino[2,3-a]benzimidazole(9CI)
CAS Number:
88730-89-6
Molecular Formula:
C8H6N4S
Molecular Weight:
190.2250
IUPAC Name:
2H-[1,2,4,6]thiatriazino[2,3-a]benzimidazole
InChI:
InChI=1S/C8H6N4S/c1-2-4-7-6(3-1)11-8-9-5-10-13-12(7)8/h1-5H,(H,9,10,11)
InChI Key:
DAIHBUXVNHVICF-UHFFFAOYSA-N
SMILES:
c1[nH]sn2c(n1)nc1c2cccc1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.224g/mol
Monoisotopic Mass:
190.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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