200,000+ products from a single source!
sales@angenechem.com
381691-83-4 | 4-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
CAS No: 381691-83-4 Catalog No: AG019GQ6 MDL No:MFCD01026568
Product Description
Catalog Number:
AG019GQ6
Chemical Name:
4-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
CAS Number:
381691-83-4
Molecular Formula:
C15H15NO4S2
Molecular Weight:
337.4139
MDL Number:
MFCD01026568
IUPAC Name:
4-[(5Z)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
InChI:
InChI=1S/C15H15NO4S2/c1-20-11-5-2-4-10(8-11)9-12-14(19)16(15(21)22-12)7-3-6-13(17)18/h2,4-5,8-9H,3,6-7H2,1H3,(H,17,18)/b12-9-
InChI Key:
NDOYAOFADRKHAN-XFXZXTDPSA-N
SMILES:
COc1cccc(c1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)O
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
337.044g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.408g/mol
Monoisotopic Mass:
337.044g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.