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Home > Indoles and Oxindole > 33712-57-1
33712-57-1 | 1H-Isoindole-1,3(2H)-dione, 2-[(1,1-dimethyl-2-oxoethyl)thio]-
CAS No: 33712-57-1 Catalog No: AG007IXJ MDL No:
Product Description
Catalog Number:
AG007IXJ
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1,1-dimethyl-2-oxoethyl)thio]-
CAS Number:
33712-57-1
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
IUPAC Name:
2-(1,3-dioxoisoindol-2-yl)sulfanyl-2-methylpropanal
InChI:
InChI=1S/C12H11NO3S/c1-12(2,7-14)17-13-10(15)8-5-3-4-6-9(8)11(13)16/h3-7H,1-2H3
InChI Key:
RCTLAVLOERZYOR-UHFFFAOYSA-N
SMILES:
O=CC(SN1C(=O)c2c(C1=O)cccc2)(C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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