Probenazole

C₁₀H₉NO₃SCAS 27605-76-1223.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₉NO₃S
Molar mass: 223.25 g/mol
Exact mass: 223.0303 Da
Melting point: 138.5 °C
logP: 1.34Crippen estimate
Polar surface area: 55.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

H401 Toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

NITE-CMC, via PubChem.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

27605-76-1

SMILES

C=CCOC1=NS(=O)(=O)c2ccccc21

InChIKey

WHHIPMZEDGBUCC-UHFFFAOYSA-N

InChI

InChI=1S/C10H9NO3S/c1-2-7-14-10-8-5-3-4-6-9(8)15(12,13)11-10/h2-6H,1,7H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

1,2-Benzisothiazole, 3-(2-propen-1-yloxy)-, 1,1-dioxide
1,2-Benzisothiazole, 3-(allyloxy)-, 1,1-dioxide
1,2-Benzisothiazole, 3-(2-propenyloxy)-, 1,1-dioxide
Oryzaemate
3-Allyloxy-1,2-benzisothiazole 1,1-dioxide
PO 20
3-Allyloxy-1,2-benzisothiazol-1,1-dioxide
Oryzemate
PO 20 (pharmaceutical)
3-Allyloxy-1,2-benzisothiazole-1,1-oxide

Work with Probenazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diallyl phthalate131-17-950 % similar Saccharin81-07-245 % similar Allyl phenylacetate1797-74-639 % similar Allyl cinnamate1866-31-538 % similar Allyl phenoxyacetate7493-74-538 % similar Diallyl terephthalate1026-92-237 % similar Diallyl isophthalate1087-21-437 % similar Triallyl trimellitate2694-54-435 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

8-Amino-2-naphthalenesulfonic acid119-28-8 5-Amino-2-naphthalenesulfonic acid119-79-9 Methyl 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate188614-01-9 5-(4-Hydroxybenzyl)thiazolidine-2,4-dione74772-78-4 6-Aminonaphthalene-1-sulphonic acid81-05-0 Tobias acid81-16-3 Peri acid82-75-7 Naphthionic acid84-86-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook