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Home > Indoles and Oxindole > 85847-47-8
85847-47-8 | 2-(6-sulfanylhexyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 85847-47-8 Catalog No: AG01B9ZM MDL No:MFCD22905249
Product Description
Catalog Number:
AG01B9ZM
Chemical Name:
2-(6-sulfanylhexyl)-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
85847-47-8
Molecular Formula:
C14H17NO2S
Molecular Weight:
263.3553
MDL Number:
MFCD22905249
IUPAC Name:
2-(6-sulfanylhexyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H17NO2S/c16-13-11-7-3-4-8-12(11)14(17)15(13)9-5-1-2-6-10-18/h3-4,7-8,18H,1-2,5-6,9-10H2
InChI Key:
NUVFBSOIAXOTOJ-UHFFFAOYSA-N
SMILES:
SCCCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.355g/mol
Monoisotopic Mass:
263.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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