200,000+ products from a single source!
sales@angenechem.com
Home > Indoles and Oxindole > 116547-93-4
116547-93-4 | 1H-Indole, 2-butyl-1-(methylsulfonyl)-
CAS No: 116547-93-4 Catalog No: AG000CRK MDL No:
Product Description
Catalog Number:
AG000CRK
Chemical Name:
1H-Indole, 2-butyl-1-(methylsulfonyl)-
CAS Number:
116547-93-4
Molecular Formula:
C13H17NO2S
Molecular Weight:
251.3446
IUPAC Name:
2-butyl-1-methylsulfonylindole
InChI:
InChI=1S/C13H17NO2S/c1-3-4-8-12-10-11-7-5-6-9-13(11)14(12)17(2,15)16/h5-7,9-10H,3-4,8H2,1-2H3
InChI Key:
QWEBFMDHKFYXOG-UHFFFAOYSA-N
SMILES:
CCCCc1cc2c(n1S(=O)(=O)C)cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.344g/mol
Monoisotopic Mass:
251.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.