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Home > Indoles and Oxindole > 950094-55-0
950094-55-0 | 8-methyl-5H-pyridazino[4,5-b]indole-4-thiol
CAS No: 950094-55-0 Catalog No: AG019L42 MDL No:MFCD09863290
Product Description
Catalog Number:
AG019L42
Chemical Name:
8-methyl-5H-pyridazino[4,5-b]indole-4-thiol
CAS Number:
950094-55-0
Molecular Formula:
C11H9N3S
Molecular Weight:
215.2743
MDL Number:
MFCD09863290
IUPAC Name:
8-methyl-3,5-dihydropyridazino[4,5-b]indole-4-thione
InChI:
InChI=1S/C11H9N3S/c1-6-2-3-9-7(4-6)8-5-12-14-11(15)10(8)13-9/h2-5,13H,1H3,(H,14,15)
InChI Key:
WMEXODGJQDLZOG-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c1cnnc(c1[nH]2)S
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.274g/mol
Monoisotopic Mass:
215.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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