Captafol (C10H9Cl4NO2S)

Captafol (C10H9Cl4NO2S; CAS 2425-06-1) is a practical retrosynthesis target. Captafol presents a C10 framework, an amide, halogen substitution. Open AI route search in one click below.

Target: Captafol
CAS: 2425-06-1
Formula: C10H9Cl4NO2S
Approx. MW: 349.05
SMILES: O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl
PubChem CID: 17038
Approx. carbons: C10

Captafol structure

Properties

IUPAC name: 2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Common names: Captafol; 2425-06-1; Folcid; Merpafol; Sanspor; Foltaf; DIFOLATAN; Arborseal; Crisfolatan; Terrazol
Molecular weight: 349.10
Exact mass: 348.91
InChIKey: JHRWWRDRBPCWTF-UHFFFAOYSA-N
Melting point: 321 °F (Decomposes) (NIOSH, 2024)
Boiling point: Decomposes (NIOSH, 2024)
Density: Relative density of the vapour/air-mixture at 20 °C (air = 1): 1.00

View on PubChem

Captafol 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Captafol?

Captafol has molecular formula C10H9Cl4NO2S. Molecular weight about 349.05 g·mol⁻¹.

What is the CAS number of Captafol?

The CAS Registry Number for Captafol is 2425-06-1.

Run AI retrosynthesis for Captafol Target catalog AI tools overview

Open the planner with Captafol preloaded, then keep routes that match CAS 2425-06-1.

Related targets

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Allobarbital N-(2-Bromoethyl)phthalimide N-(2-Chlorophenyl)maleimide Apronal DAAm compound Folpet (N-(trichloromethylthio)phthalimide)

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References & tools

ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
PubChem — compound identifiers and structure depictions (NIH/NCBI).
Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.