200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 1384428-21-0
1384428-21-0 | 3-benzyl-6lambda6-thia-3-azabicyclo[3.2.1]octane-6,6,8-trione
CAS No: 1384428-21-0 Catalog No: AG019U5K MDL No:MFCD22196366
Product Description
Catalog Number:
AG019U5K
Chemical Name:
3-benzyl-6lambda6-thia-3-azabicyclo[3.2.1]octane-6,6,8-trione
CAS Number:
1384428-21-0
Molecular Formula:
C13H15NO3S
Molecular Weight:
265.3281
MDL Number:
MFCD22196366
IUPAC Name:
3-benzyl-6,6-dioxo-6λ6-thia-3-azabicyclo[3.2.1]octan-8-one
InChI:
InChI=1S/C13H15NO3S/c15-13-11-7-14(6-10-4-2-1-3-5-10)8-12(13)18(16,17)9-11/h1-5,11-12H,6-9H2
InChI Key:
QIUBULRRJAGVIB-UHFFFAOYSA-N
SMILES:
O=C1C2CN(CC1S(=O)(=O)C2)Cc1ccccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.327g/mol
Monoisotopic Mass:
265.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.