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Home > Indoles and Oxindole > 17796-71-3
17796-71-3 | 1H-Isoindole-1,3(2H)-dione, 2-(propylthio)-
CAS No: 17796-71-3 Catalog No: AG0025NU MDL No:
Product Description
Catalog Number:
AG0025NU
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(propylthio)-
CAS Number:
17796-71-3
Molecular Formula:
C11H11NO2S
Molecular Weight:
221.2755
IUPAC Name:
2-propylsulfanylisoindole-1,3-dione
InChI:
InChI=1S/C11H11NO2S/c1-2-7-15-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,2,7H2,1H3
InChI Key:
AZFZZWPVIHWVOE-UHFFFAOYSA-N
SMILES:
CCCSN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.274g/mol
Monoisotopic Mass:
221.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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