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Folpet
CAS: 133-07-3 | C9H4Cl3NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
133-07-3
Molecular Formula:
C9H4Cl3NO2S
Molecular Mass:
296.56 g/mol
Names and Synonyms:
Folpet
1H-Isoindole-1,3(2H)-dione, 2-[(trichloromethyl)thio]-
Phthalimide, N-[(trichloromethyl)thio]-
2-[(Trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione
Folpet
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
Identifiers:
SMILES:
O=C1c2ccccc2C(=O)N1SC(Cl)(Cl)Cl
InChI:
InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H
Key Properties
Melting Point
177 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 296.56 g/mol | CAS Common Chemistry |
| 296.562 g/mol | RDKit | |
| 294.902832408 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 64.82300000000001 | RDKit |
