Name: Name:2-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetic acid
Brand: Angene
SKU: AG01EKJX
Rating: 90 (10 reviews)

2-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetic acid

CAS No.:

354126-22-0

Catalog Number:

AG01EKJX

Molecular Formula:

C12H7N3O4S2

Molecular Weight:

321.3317

Catalog Number:

AG01EKJX

Chemical Name:

2-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetic acid

CAS Number:

354126-22-0

Molecular Formula:

C12H7N3O4S2

Molecular Weight:

321.3317

MDL Number:

MFCD02327294

IUPAC Name:

2-[[5-(1,3-dioxoisoindol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid

InChI:

InChI=1S/C12H7N3O4S2/c16-8(17)5-20-12-14-13-11(21-12)15-9(18)6-3-1-2-4-7(6)10(15)19/h1-4H,5H2,(H,16,17)

InChI Key:

FOICFHHEXFDFFV-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1nnc(s1)N1C(=O)c2c(C1=O)cccc2

Complexity:

451

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

320.988g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

321.325g/mol

Monoisotopic Mass:

320.988g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

154A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7