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68896-72-0

68896-72-0 | Naphtho[1,2-e][1,2,4]triazine, 2-(methylthio)-, 1-oxide

CAS No: 68896-72-0 Catalog No: AG006FVL MDL No:

Product Description

Catalog Number:
AG006FVL
Chemical Name:
Naphtho[1,2-e][1,2,4]triazine, 2-(methylthio)-, 1-oxide
CAS Number:
68896-72-0
Molecular Formula:
C12H9N3OS
Molecular Weight:
243.2844
IUPAC Name:
2-methylsulfanyl-1-oxidobenzo[f][1,2,4]benzotriazin-1-ium
InChI:
InChI=1S/C12H9N3OS/c1-17-12-14-13-10-7-6-8-4-2-3-5-9(8)11(10)15(12)16/h2-7H,1H3
InChI Key:
DFHDYKXFPDWHKA-UHFFFAOYSA-N
SMILES:
CSc1nnc2c([n+]1[O-])c1ccccc1cc2

Properties

Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.047g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.284g/mol
Monoisotopic Mass:
243.047g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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