Frentizole

C₁₅H₁₃N₃O₂SCAS 26130-02-9299.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₃N₃O₂S
Molar mass: 299.35 g/mol
Exact mass: 299.0728 Da
logP: 3.95Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

26130-02-9

SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC=C3

InChIKey

JHBWYQRKOUBPCA-UHFFFAOYSA-N

InChI

InChI=1S/C15H13N3O2S/c1-20-11-7-8-12-13(9-11)21-15(17-12)18-14(19)16-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)

Weigh it out

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

Work with Frentizole

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

6-Methoxy-2-methylbenzothiazole2941-72-247 % similar 2-Cyano-6-methoxybenzothiazole943-03-346 % similar 2-Chloro-6-methoxybenzothiazole2605-14-346 % similar 2-Bromo-6-methoxy-1,3-benzothiazole2941-58-446 % similar 6-Methoxybenzothiazole2942-13-440 % similar Ky02111118807-13-840 % similar 3-Methoxydiphenylamine101-16-639 % similar N-(Cinnamoyl)-3-methoxyaniline127033-74-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fenbendazole43210-67-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook