200,000+ products from a single source!
sales@angenechem.com
115088-06-7 | Butanoic acid, 4-(2-pyridinyldithio)-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 115088-06-7 Catalog No: AG000FVD MDL No:MFCD20229028
Product Description
Catalog Number:
AG000FVD
Chemical Name:
Butanoic acid, 4-(2-pyridinyldithio)-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
115088-06-7
Molecular Formula:
C13H14N2O4S2
Molecular Weight:
326.3913
MDL Number:
MFCD20229028
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 4-(pyridin-2-yldisulfanyl)butanoate
InChI:
InChI=1S/C13H14N2O4S2/c16-11-6-7-12(17)15(11)19-13(18)5-3-9-20-21-10-4-1-2-8-14-10/h1-2,4,8H,3,5-7,9H2
InChI Key:
JSHOVKSMJRQOGY-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCCSSc1ccccn1
UNII:
FAX2C2TAW1
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.039g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.385g/mol
Monoisotopic Mass:
326.039g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.