Responsive image

Common name


benfuresate

IUPAC name


2,3-dihydro-3,3-dimethyl-5-benzofuranyl ethanesulfonate

SMILES


CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2

Compound class


Herbicide

Therapeutic area


Herbicide

Common name


benfuresate

IUPAC name


2,3-dihydro-3,3-dimethyl-5-benzofuranyl ethanesulfonate

SMILES


CCS(=O)(=O)Oc1ccc2c(c1)C(C)(C)CO2

INCHI


InChI=1S/C12H16O4S/c1-4-17(13,14)16-9-5-6-11-10(7-9)12(2,3)8-15-11/h5-7H,4,8H2,1-3H3

FORMULA


C12H16O4S

Responsive image

Common name


benfuresate

IUPAC name


2,3-dihydro-3,3-dimethyl-5-benzofuranyl ethanesulfonate

Molecular weight


256.318

clogP


2.139

clogS


-3.460

HBond Acceptor


4

HBond Donor


0

Total Polar
Surface Area


52.6

Number of Rings


2

Rotatable Bond


3

Drug ID Common name Structure CAS SMILE Frequency
FDBF00283 BLAH Responsive image S(=O)O 0.0244
FDBF00322 (dihydroxy-λ3-sulfanyl)ethane Responsive image C(C)[S](O)O 0.0055
FDBF01506 ethanesulfonic acid Responsive image CCS(=O)(=O)O 0.0010
FDBF05710 3,3-dimethyl-2H-1-benzofuran-5-ol Responsive image Oc1cc2c(cc1)OCC2(C)C 0.0007
4 , 1