200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 88683-35-6
88683-35-6 | 1H-Isoindole-1,3(2H)-dione, 2-[(2-methylbutyl)thio]-
CAS No: 88683-35-6 Catalog No: AG0047G1 MDL No:
Product Description
Catalog Number:
AG0047G1
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(2-methylbutyl)thio]-
CAS Number:
88683-35-6
Molecular Formula:
C13H15NO2S
Molecular Weight:
249.3287
IUPAC Name:
2-(2-methylbutylsulfanyl)isoindole-1,3-dione
InChI:
InChI=1S/C13H15NO2S/c1-3-9(2)8-17-14-12(15)10-6-4-5-7-11(10)13(14)16/h4-7,9H,3,8H2,1-2H3
InChI Key:
BOHKJMIKEPFMLN-UHFFFAOYSA-N
SMILES:
CCC(CSN1C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.328g/mol
Monoisotopic Mass:
249.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.