Molecular properties
- Formula
- C9H8Cl3NO2S
- Molar mass
- 300.59 g·mol−1
- Exact mass
- 298.9341 Da
- 5
- PubChem CID
- 8606
Molecule record
2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
C9H8Cl3NO2S
300.59 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkene
Alkyl halide
Amide
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 133-06-2
- Aacaptan
- Amercide
- Bangton
- CAPTAN
- Captab
- Captaf
- Captane
Show all 24 synonyms
- Captex
- Hexacap
- Kaptan
- Le captane
- Malipur
- Merpan
- Neracid
- Orthocide
- Orthocide 406
- Osocide
- Stauffer captan
- Trimegol
- Ugecap
- Vancide 89
- Vanicide
- Vondcaptan
Structure identifiers
- Canonical SMILES
- O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl
- Isomeric SMILES
- C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl
- InChI
- InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2
- InChIKey
- LDVVMCZRFWMZSG-UHFFFAOYSA-N
- PubChem CID
- 8606
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.