Name: Name:1,1-dioxo-2,5-dihydro-1lambda6-thiophene-3-carboxylic acid
Brand: Angene
SKU: AG01ALPH
Rating: 90 (10 reviews)

1,1-dioxo-2,5-dihydro-1lambda6-thiophene-3-carboxylic acid

CAS No.:

267667-78-7

Catalog Number:

AG01ALPH

Molecular Formula:

C5H6O4S

Molecular Weight:

162.1637

Catalog Number:

AG01ALPH

Chemical Name:

1,1-dioxo-2,5-dihydro-1lambda6-thiophene-3-carboxylic acid

CAS Number:

267667-78-7

Molecular Formula:

C5H6O4S

Molecular Weight:

162.1637

MDL Number:

MFCD20656882

IUPAC Name:

1,1-dioxo-2,5-dihydrothiophene-3-carboxylic acid

InChI:

InChI=1S/C5H6O4S/c6-5(7)4-1-2-10(8,9)3-4/h1H,2-3H2,(H,6,7)

InChI Key:

GSPYMZGNJJKNFW-UHFFFAOYSA-N

SMILES:

OC(=O)C1=CCS(=O)(=O)C1

Complexity:

279

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

161.999g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

162.159g/mol

Monoisotopic Mass:

161.999g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.9