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Home > Imidazoles > 115760-61-7
115760-61-7 | 2H-1,2,5-Thiadiazino[5,6-a]benzimidazole (9CI)
CAS No: 115760-61-7 Catalog No: AG000GTU MDL No:
Product Description
Catalog Number:
AG000GTU
Chemical Name:
2H-1,2,5-Thiadiazino[5,6-a]benzimidazole (9CI)
CAS Number:
115760-61-7
Molecular Formula:
C9H7N3S
Molecular Weight:
189.2370
IUPAC Name:
2H-[1,2,5]thiadiazino[5,6-a]benzimidazole
InChI:
InChI=1S/C9H7N3S/c1-2-4-8-7(3-1)11-9-12(8)6-5-10-13-9/h1-6,10H
InChI Key:
FCOHPNNFXCQQNU-UHFFFAOYSA-N
SMILES:
[nH]1ccn2c(s1)nc1c2cccc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.236g/mol
Monoisotopic Mass:
189.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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