Captan (N-(trichloromethylthio)cyclohex-4-ene-1,2-dicarboximide): retrosynthesis target

Looking for routes to Captan (N-(trichloromethylthio)cyclohex-4-ene-1,2-dicarboximide)? Captan (N-(trichloromethylthio)cyclohex-4-ene-1,2-dicarboximide) presents a C9 framework, an amide, halogen substitution. Use the planner with prefilled SMILES, or copy O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl (CAS 133-06-2).

Target: Captan (N-(trichloromethylthio)cyclohex-4-ene-1,2-dicarboximide)
CAS: 133-06-2
Formula: C9H8Cl3NO2S
Approx. MW: 300.58
SMILES: O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl
PubChem CID: 8606
Approx. carbons: C9

Captan (N-(trichloromethylthio)cyclohex-4-ene-1,2-dicarboximide) structure

Properties

IUPAC name: 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Common names: CAPTAN; 133-06-2; Aacaptan; Orthocide; Merpan; Vondcaptan; Amercide; Captane; Malipur; Neracid
Molecular weight: 300.60
Exact mass: 298.93
InChIKey: LDVVMCZRFWMZSG-UHFFFAOYSA-N
Melting point: 352 °F (NTP, 1992)
Boiling point: Decomposes (NTP, 1992)
Density: 1.74 at 68 °F (USCG, 1999) - Denser than water; will sink

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Captan (N-(trichloromethylthio)cyclohex-4-ene-1,2-dicarboximide) 1H / 13C NMR spectrum →

FAQ

What is the chemical formula of Captan (N-(trichloromethylthio)cyclohex-4-ene-1,2-dicarboximide)?

Captan (N-(trichloromethylthio)cyclohex-4-ene-1,2-dicarboximide) has molecular formula C9H8Cl3NO2S. Molecular weight about 300.58 g·mol⁻¹.

What is the CAS number of Captan (N-(trichloromethylthio)cyclohex-4-ene-1,2-dicarboximide)?

The CAS Registry Number for Captan (N-(trichloromethylthio)cyclohex-4-ene-1,2-dicarboximide) is 133-06-2.

Run AI retrosynthesis for Captan (N-(trichloromethylthio)cyclohex-4-ene-1,2-dicarboximide) Target catalog AI tools overview

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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.