Name: Name:3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile
Brand: Angene
SKU: AG01A7TO
Rating: 90 (10 reviews)

3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile

CAS No.:

1221723-16-5

Catalog Number:

AG01A7TO

Molecular Formula:

C11H8N2O2S

Molecular Weight:

232.2584

Catalog Number:

AG01A7TO

Chemical Name:

3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile

CAS Number:

1221723-16-5

Molecular Formula:

C11H8N2O2S

Molecular Weight:

232.2584

MDL Number:

MFCD14705819

IUPAC Name:

3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzonitrile

InChI:

InChI=1S/C11H8N2O2S/c12-5-8-2-1-3-9(4-8)6-13-10(14)7-16-11(13)15/h1-4H,6-7H2

InChI Key:

WKBNKRHXUBMWPG-UHFFFAOYSA-N

SMILES:

N#Cc1cccc(c1)CN1C(=O)CSC1=O

Complexity:

360

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.257g/mol

Monoisotopic Mass:

232.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5