IUPAC name
3-benzo[b]thien-2-yl-5,6-dihydro-1,4,2-oxathiazine 4-oxide
SMILES
c1ccc2c(c1)cc(C1=NOCCS1=O)s2
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
bethoxazin
IUPAC name
3-benzo[b]thien-2-yl-5,6-dihydro-1,4,2-oxathiazine 4-oxide
SMILES
c1ccc2c(c1)cc(C1=NOCCS1=O)s2
INCHI
InChI=1S/C11H9NO2S2/c13-16-6-5-14-12-11(16)10-7-8-3-1-2-4-9(8)15-10/h1-4,7H,5-6H2
FORMULA
C11H9NO2S2
Common name
bethoxazin
IUPAC name
3-benzo[b]thien-2-yl-5,6-dihydro-1,4,2-oxathiazine 4-oxide
Molecular weight
251.325
clogP
3.464
clogS
-3.212
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
66.9
Number of Rings
3
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF06778 | 5,6-dihydro-4H-1,4λ3,2-oxathiazin-4-ol |
|
C1=NOCC[S@]1O | 0.0003 |
1 ,
1
