200,000+ products from a single source!
sales@angenechem.com
264225-72-1 | 3-Pyridinecarboxylic acid, 5-cyano-2-(dimethoxymethyl)-1,6-dihydro-6-thioxo-, methyl ester
CAS No: 264225-72-1 Catalog No: AG002T58 MDL No:
Product Description
Catalog Number:
AG002T58
Chemical Name:
3-Pyridinecarboxylic acid, 5-cyano-2-(dimethoxymethyl)-1,6-dihydro-6-thioxo-, methyl ester
CAS Number:
264225-72-1
Molecular Formula:
C11H12N2O4S
Molecular Weight:
268.2890
IUPAC Name:
methyl 5-cyano-2-(dimethoxymethyl)-6-sulfanylidene-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C11H12N2O4S/c1-15-10(14)7-4-6(5-12)9(18)13-8(7)11(16-2)17-3/h4,11H,1-3H3,(H,13,18)
InChI Key:
YBUSLWAUDLOCIR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C#N)c(=S)[nH]c1C(OC)OC
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.287g/mol
Monoisotopic Mass:
268.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.