chempirical

Probenazole

C10H9NO3SCAS 27605-76-1223.25 g/mol

Open in Covalent MOL file
ONSOO
Alkene

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 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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 5-(4-Hydroxybenzyl)thiazolidine-2,4-dione74772-78-4 D Acid81-05-0 Tobias acid81-16-3 Peri acid82-75-7 Naphthionic acid84-86-6 Laurent acid84-89-9

Elsewhere

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