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84731-21-5 | 1H-Naphtho[2,3-d]triazole-4,9-dione, 5-(methylthio)-
CAS No: 84731-21-5 Catalog No: AG004YNK MDL No:
Product Description
Catalog Number:
AG004YNK
Chemical Name:
1H-Naphtho[2,3-d]triazole-4,9-dione, 5-(methylthio)-
CAS Number:
84731-21-5
Molecular Formula:
C11H7N3O2S
Molecular Weight:
245.2572
IUPAC Name:
5-methylsulfanyl-2H-benzo[f]benzotriazole-4,9-dione
InChI:
InChI=1S/C11H7N3O2S/c1-17-6-4-2-3-5-7(6)11(16)9-8(10(5)15)12-14-13-9/h2-4H,1H3,(H,12,13,14)
InChI Key:
HNAQCGRIFGDBOL-UHFFFAOYSA-N
SMILES:
CSc1cccc2c1C(=O)c1nn[nH]c1C2=O
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.026g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.256g/mol
Monoisotopic Mass:
245.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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