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Home > Indoles and Oxindole > 17796-73-5
17796-73-5 | 1H-Isoindole-1,3(2H)-dione, 2-(butylthio)-
CAS No: 17796-73-5 Catalog No: AG0025NT MDL No:
Product Description
Catalog Number:
AG0025NT
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(butylthio)-
CAS Number:
17796-73-5
Molecular Formula:
C12H13NO2S
Molecular Weight:
235.3021
IUPAC Name:
2-butylsulfanylisoindole-1,3-dione
InChI:
InChI=1S/C12H13NO2S/c1-2-3-8-16-13-11(14)9-6-4-5-7-10(9)12(13)15/h4-7H,2-3,8H2,1H3
InChI Key:
GVURDWLNXBZCCM-UHFFFAOYSA-N
SMILES:
CCCCSN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.301g/mol
Monoisotopic Mass:
235.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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