Name: Name:5-[[5-(2,5-Dichlorophenyl)-2-furanyl]methylene]-3-(phenylmethyl)-2-thioxo-4-thiazolidinone
Brand: Angene
SKU: AG01F34J
Rating: 90 (10 reviews)

5-[[5-(2,5-Dichlorophenyl)-2-furanyl]methylene]-3-(phenylmethyl)-2-thioxo-4-thiazolidinone

CAS No.:

299911-78-7

Catalog Number:

AG01F34J

Molecular Formula:

C21H13Cl2NO2S2

Molecular Weight:

446.3694

Catalog Number:

AG01F34J

Chemical Name:

5-[[5-(2,5-Dichlorophenyl)-2-furanyl]methylene]-3-(phenylmethyl)-2-thioxo-4-thiazolidinone

CAS Number:

299911-78-7

Molecular Formula:

C21H13Cl2NO2S2

Molecular Weight:

446.3694

MDL Number:

MFCD02120976

IUPAC Name:

(5E)-3-benzyl-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

InChI:

InChI=1S/C21H13Cl2NO2S2/c22-14-6-8-17(23)16(10-14)18-9-7-15(26-18)11-19-20(25)24(21(27)28-19)12-13-4-2-1-3-5-13/h1-11H,12H2/b19-11+

InChI Key:

VKFUPNLKOGRRAK-YBFXNURJSA-N

SMILES:

Clc1ccc(c(c1)c1ccc(o1)/C=C\1/SC(=S)N(C1=O)Cc1ccccc1)Cl

Complexity:

638

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

444.976g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

446.36g/mol

Monoisotopic Mass:

444.976g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

90.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.5