200,000+ products from a single source!
sales@angenechem.com
303793-09-1 | 3-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CAS No: 303793-09-1 Catalog No: AG019GQ0 MDL No:MFCD01035606
Product Description
Catalog Number:
AG019GQ0
Chemical Name:
3-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CAS Number:
303793-09-1
Molecular Formula:
C14H13NO4S2
Molecular Weight:
323.3873
MDL Number:
MFCD01035606
IUPAC Name:
3-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
InChI:
InChI=1S/C14H13NO4S2/c1-19-10-4-2-3-9(7-10)8-11-13(18)15(14(20)21-11)6-5-12(16)17/h2-4,7-8H,5-6H2,1H3,(H,16,17)/b11-8-
InChI Key:
WCTOQHZQAPZILK-FLIBITNWSA-N
SMILES:
COc1cccc(c1)/C=C/1\SC(=S)N(C1=O)CCC(=O)O
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
323.029g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.381g/mol
Monoisotopic Mass:
323.029g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.