Name: Name:2-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Brand: Angene
SKU: AG01EM8V
Rating: 90 (10 reviews)

2-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

CAS No.:

385397-94-4

Catalog Number:

AG01EM8V

Molecular Formula:

C11H9NO4S2

Molecular Weight:

283.3235

Catalog Number:

AG01EM8V

Chemical Name:

2-[(5E)-5-[(furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

CAS Number:

385397-94-4

Molecular Formula:

C11H9NO4S2

Molecular Weight:

283.3235

MDL Number:

MFCD01831134

IUPAC Name:

2-[(5E)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

InChI:

InChI=1S/C11H9NO4S2/c1-6(10(14)15)12-9(13)8(18-11(12)17)5-7-3-2-4-16-7/h2-6H,1H3,(H,14,15)/b8-5+

InChI Key:

CMGDXCYXXKGCGM-VMPITWQZSA-N

SMILES:

OC(=O)C(N1C(=S)S/C(=C/c2ccco2)/C1=O)C

Complexity:

435

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.997g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

283.316g/mol

Monoisotopic Mass:

282.997g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

128A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1