200,000+ products from a single source!
sales@angenechem.com
127881-45-2 | Phosphinic acid, [[4-(2-benzothiazolyl)phenyl]methyl](2-oxo-3-thiazolidinyl)-, ethyl ester (9CI)
CAS No: 127881-45-2 Catalog No: AG000XIE MDL No:
Product Description
Catalog Number:
AG000XIE
Chemical Name:
Phosphinic acid, [[4-(2-benzothiazolyl)phenyl]methyl](2-oxo-3-thiazolidinyl)-, ethyl ester (9CI)
CAS Number:
127881-45-2
Molecular Formula:
C19H19N2O3PS2
Molecular Weight:
418.4695
IUPAC Name:
3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]-1,3-thiazolidin-2-one
InChI:
InChI=1S/C19H19N2O3PS2/c1-2-24-25(23,21-11-12-26-19(21)22)13-14-7-9-15(10-8-14)18-20-16-5-3-4-6-17(16)27-18/h3-10H,2,11-13H2,1H3
InChI Key:
LXPVOXKIKAAFJW-UHFFFAOYSA-N
SMILES:
CCOP(=O)(N1CCSC1=O)Cc1ccc(cc1)c1nc2c(s1)cccc2
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.057g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.466g/mol
Monoisotopic Mass:
418.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.