Zileuton

C11H12N2O2SCAS 111406-87-2236.29 g/mol

Open in Covalent MOL file
SNHOH2NO

Properties

Molecular formula
C11H12N2O2S
Molar mass
236.29 g/mol
Exact mass
236.0619 Da
Melting point
157–158 °C
logP
3.15Crippen estimate
Polar surface area
67.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
111406-87-2
SMILES
CC(c1cc2ccccc2s1)N(O)C(=N)O
InChIKey
MWLSOWXNZPKENC-UHFFFAOYSA-N
InChI
InChI=1S/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)

Weigh it out

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

Names and synonyms

8 names
  • Urea, N-(1-benzo[b]thien-2-ylethyl)-N-hydroxy-
  • N-(1-Benzo[b]thien-2-ylethyl)-N-hydroxyurea
  • A 64077
  • Abbott 64077
  • Zyflo
  • Leutrol
  • Griluto-CR
  • 1-[1-(1-Benzothiophen-2-yl)ethyl]-1-hydroxyurea

Work with Zileuton

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

Benzo[b]thiophene-2-carboxylic acid6314-28-936 % similar 2-Methylbenzothiophene1195-14-835 % similar Benzo[b]thiophene-2-carboxylic hydrazide175135-07-634 % similar 2-Acetylbenzothiophene22720-75-833 % similar Benzo[b]thiophene-2-methanol17890-56-133 % similar Benzo[B]thien-2-ylboronic acid98437-23-133 % similar 2-Bromobenzo(b)thiophene5394-13-832 % similar Methyl benzo(b)thiophene-2-carboxylate22913-24-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Amino-N-methyl-2-naphthalenesulfonamide104295-55-8 5-(1-Hydroxyethyl)-3-phenyl-2-thioxo-4-imidazolidinone5789-21-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook