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Molecule
Cyclohexylthiophthalimide
CAS: 17796-82-6 · C14H15NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 17796-82-6
- Molecular Formula
- C14H15NO2S
- Molecular Mass
- 261.35 g/mol
Identifiers
CAS Registry Number
17796-82-6
SMILES
O=C1c2ccccc2C(=O)N1SC1CCCCC1
InChI Key
UEZWYKZHXASYJN-UHFFFAOYSA-N
InChI
InChI=1S/C14H15NO2S/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
Names and Synonyms
- Cyclohexylthiophthalimide Synonym
- 1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)- Synonym
- Phthalimide, N-(cyclohexylthio)- Synonym
- 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione Synonym
- N-(Cyclohexylthio)phthalimide Synonym
- Santogard PVI Synonym
- N-Cyclohexylsulfenylphthalimide Synonym
- Santogard PVI-DS Synonym
- Duslin P Synonym
- Vulkalent G Synonym
- Retarder CTP Synonym
- Accitard RE Synonym
- Duslin PP Synonym
- Rhenogran CPT 80 Synonym
- CTP Synonym
- CTP (chinese inhibitor) Synonym
- 2-(Cyclohexylthio)isoindoline-1,3-dione Synonym
- PVI Synonym
- Anscorch CTP Synonym
- Vulkalent P Synonym
- Pilgard PVI Synonym
- CTP-PVI Synonym
- 2-Cyclohexylsulfanylisoindole-1,3-dione Synonym
- 2-(Cyclohexylsulfanyl)-2,3-dihydro-1H-isoindole-1,3-dione Synonym
- SF 205 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione | CAS Common Chemistry |
| Cyclohexylthiophthalimide | CAS Common Chemistry | |
| Molecular Mass | 261.35 g/mol | CAS Common Chemistry |
| 261.34599999999995 g/mol | RDKit | |
| 261.346 g/mol | RDKit | |
| 261.339 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyclohexylthiophthalimide | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2C(=O)N1SC3CCCCC3 | CAS Common Chemistry |
| InChI | InChI=1S/C14H15NO2S/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=UEZWYKZHXASYJN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93-94 °C | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 37.38 Ų | RDKit |
| LogP | 3.2635000000000023 | RDKit |
| 3.2635 | RDKit | |
| 2.96 | chempirical lib | |
| Molar Refractivity | 71.40600000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4286 | RDKit |
| 0.43 | chempirical lib | |
| Exact Mass | 261.08234972 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 261.35 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H15NO2S.
