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128365-79-7 | Pyrido[2,1-a]isoindole-2,6-dione, 3,4-dihydro-1-(methylthio)-
CAS No: 128365-79-7 Catalog No: AG000Y0Q MDL No:
Product Description
Catalog Number:
AG000Y0Q
Chemical Name:
Pyrido[2,1-a]isoindole-2,6-dione, 3,4-dihydro-1-(methylthio)-
CAS Number:
128365-79-7
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
IUPAC Name:
1-methylsulfanyl-3,4-dihydropyrido[1,2-b]isoindole-2,6-dione
InChI:
InChI=1S/C13H11NO2S/c1-17-12-10(15)6-7-14-11(12)8-4-2-3-5-9(8)13(14)16/h2-5H,6-7H2,1H3
InChI Key:
DACCWKVNVWJQCQ-UHFFFAOYSA-N
SMILES:
CSC1=C2c3ccccc3C(=O)N2CCC1=O
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.296g/mol
Monoisotopic Mass:
245.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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