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Molecule
Folpet
CAS: 133-07-3 · C9H4Cl3NO2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 133-07-3
- Molecular Formula
- C9H4Cl3NO2S
- Molecular Mass
- 296.56 g/mol
Identifiers
CAS Registry Number
133-07-3
SMILES
O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl
InChI Key
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
Names and Synonyms
- Folpet Synonym
- 1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]- Synonym
- Phthalimide, N-[(trichloromethyl)thio]- Synonym
- 2-[(Trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione Synonym
- Folpet Synonym
- Ftalan Synonym
- Orthophaltan Synonym
- Phaltan Synonym
- Phthaltan Synonym
- N-[(Trichloromethyl)thio]phthalimide Synonym
- Spolacid Synonym
- Phaltane Synonym
- Fungitrol 11 Synonym
- Faltan Synonym
- Folpel Synonym
- Folpan Synonym
- Vinicoll Synonym
- Cosan T Synonym
- Intercide TMP Synonym
- Folnit Synonym
- Orthofaltan 50 Synonym
- Sanfol Synonym
- Trifol Synonym
- Ryl Synonym
- Acryptane Synonym
- Dipet Synonym
- MCW 296 SC Synonym
- 2-[(Trichloromethyl)sulfanyl]-2,3-dihydro-1H-isoindole-1,3-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 296.56 g/mol | CAS Common Chemistry |
| 296.562 g/mol | RDKit | |
| 296.546 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Folpet | CAS Common Chemistry |
| Name | Folpet | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)N1SC(Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H | CAS Common Chemistry |
| InChI Key | InChIKey=HKIOYBQGHSTUDB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 177 °C | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| LogP | 3.2585000000000006 | RDKit |
| 3.2585 | RDKit | |
| 2.95 | chempirical lib | |
| Molar Refractivity | 64.82300000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 294.902832408 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 296.56 g/mol. Edit any field — others recompute live.
