Name: Name:3-[5-(4-CHLORO-BENZYLIDENE)-4-OXO-2-THIOXO-THIAZOLIDIN-3-YL]-PROPIONIC ACID
Brand: Angene
SKU: AG00FFM1
Rating: 90 (10 reviews)

3-[5-(4-CHLORO-BENZYLIDENE)-4-OXO-2-THIOXO-THIAZOLIDIN-3-YL]-PROPIONIC ACID

CAS No.:

7177-97-1

Catalog Number:

AG00FFM1

Molecular Formula:

C13H10ClNO3S2

Molecular Weight:

327.8064

Catalog Number:

AG00FFM1

Chemical Name:

3-[5-(4-CHLORO-BENZYLIDENE)-4-OXO-2-THIOXO-THIAZOLIDIN-3-YL]-PROPIONIC ACID

CAS Number:

7177-97-1

Molecular Formula:

C13H10ClNO3S2

Molecular Weight:

327.8064

MDL Number:

MFCD00591104

IUPAC Name:

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

InChI:

InChI=1S/C13H10ClNO3S2/c14-9-3-1-8(2-4-9)7-10-12(18)15(13(19)20-10)6-5-11(16)17/h1-4,7H,5-6H2,(H,16,17)/b10-7-

InChI Key:

NEACZKMYFFINAR-YFHOEESVSA-N

SMILES:

OC(=O)CCN1C(=S)S/C(=C\c2ccc(cc2)Cl)/C1=O

Complexity:

459

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

326.979g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

327.797g/mol

Monoisotopic Mass:

326.979g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

115A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1