200,000+ products from a single source!
sales@angenechem.com
133044-43-6 | 2(3H)-Benzothiazolone, 6-(4-hydroxy-1-oxobutyl)-
CAS No: 133044-43-6 Catalog No: AG0011KJ MDL No:
Product Description
Catalog Number:
AG0011KJ
Chemical Name:
2(3H)-Benzothiazolone, 6-(4-hydroxy-1-oxobutyl)-
CAS Number:
133044-43-6
Molecular Formula:
C11H11NO3S
Molecular Weight:
237.2749
IUPAC Name:
6-(4-hydroxybutanoyl)-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C11H11NO3S/c13-5-1-2-9(14)7-3-4-8-10(6-7)16-11(15)12-8/h3-4,6,13H,1-2,5H2,(H,12,15)
InChI Key:
XFRDNXMXVUVJCT-UHFFFAOYSA-N
SMILES:
OCCCC(=O)c1ccc2c(c1)sc(=O)[nH]2
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.273g/mol
Monoisotopic Mass:
237.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.