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Home > Indoles and Oxindole > 1518519-69-1
1518519-69-1 | 2-[2-(2-sulfanylethoxy)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 1518519-69-1 Catalog No: AG01B9XL MDL No:MFCD24929617
Product Description
Catalog Number:
AG01B9XL
Chemical Name:
2-[2-(2-sulfanylethoxy)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
1518519-69-1
Molecular Formula:
C12H13NO3S
Molecular Weight:
251.3015
MDL Number:
MFCD24929617
IUPAC Name:
2-[2-(2-sulfanylethoxy)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C12H13NO3S/c14-11-9-3-1-2-4-10(9)12(15)13(11)5-6-16-7-8-17/h1-4,17H,5-8H2
InChI Key:
DNYTWNUDEZPWFN-UHFFFAOYSA-N
SMILES:
SCCOCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.3g/mol
Monoisotopic Mass:
251.062g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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