Folpet

C₉H₄Cl₃NO₂SCAS 133-07-3296.55 g/mol

Open in Covalent MOL file

Alkyl halide Amide Lactam

Properties

Molecular formula: C₉H₄Cl₃NO₂S
Molar mass: 296.55 g/mol
Exact mass: 294.9028 Da
Density: 1.72 g/mL (at 20 °C)
Melting point: 177 °C
Water solubility: 800 µg/L
logP: 3.26Crippen estimate
Polar surface area: 37.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H317 May cause an allergic skin reactionSensitization, Skin
H319 Causes serious eye irritationSerious eye damage/eye irritation
H332 Harmful if inhaledAcute toxicity, inhalation
H351 Suspected of causing cancerCarcinogenicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard

Harmonised EU classification (CLP Annex VI, index 613-045-00-1), via PubChem.

Precautionary statements

P203, P261, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P318, P321, P333+P317, P337+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

133-07-3

SMILES

O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl

InChIKey

HKIOYBQGHSTUDB-UHFFFAOYSA-N

InChI

InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H

Weigh it out

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

Names and synonyms

26 names · show all

1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]-
Phthalimide, N-[(trichloromethyl)thio]-
2-[(Trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione
Ftalan
Orthophaltan
Phaltan
Phthaltan
N-[(Trichloromethyl)thio]phthalimide
Spolacid
Phaltane
Fungitrol 11
Faltan
Folpel
Folpan
Vinicoll
Cosan T
Intercide TMP
Folnit
Orthofaltan 50
Sanfol
Trifol
Ryl
Acryptane
Dipet
MCW 296 SC
2-[(Trichloromethyl)sulfanyl]-2,3-dihydro-1H-isoindole-1,3-dione

Work with Folpet

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

2,2'-Thiobis(1H-isoindole-1,3(2H)-dione)7764-29-659 % similar N-Chlorophthalimide3481-09-248 % similar N-Phenylphthalimide520-03-647 % similar 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-645 % similar Cyclohexylthiophthalimide17796-82-645 % similar N-Aminophthalimide1875-48-544 % similar N-Bromophthalimide2439-85-244 % similar N-Hydroxyphthalimide524-38-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia