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Home > Indoles and Oxindole > 88683-38-9
88683-38-9 | 1H-Isoindole-1,3(2H)-dione, 2-[(1-ethyl-2-methylpropyl)thio]-
CAS No: 88683-38-9 Catalog No: AG0047FZ MDL No:
Product Description
Catalog Number:
AG0047FZ
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1-ethyl-2-methylpropyl)thio]-
CAS Number:
88683-38-9
Molecular Formula:
C14H17NO2S
Molecular Weight:
263.3553
IUPAC Name:
2-(2-methylpentan-3-ylsulfanyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H17NO2S/c1-4-12(9(2)3)18-15-13(16)10-7-5-6-8-11(10)14(15)17/h5-9,12H,4H2,1-3H3
InChI Key:
JEBQBCBTEXYAPQ-UHFFFAOYSA-N
SMILES:
CCC(C(C)C)SN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
319
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:
0
Isotope Atom Count:
0
Molecular Weight:
263.355g/mol
Monoisotopic Mass:
263.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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