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Molecule
Sulfonium, Diphenyl[4-(Phenylthio)Phenyl]-, (Oc-6-11)-Hexafluoroantimonate(1-) (1:1)
CAS: 71449-78-0 · C24H19F6S2Sb
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 71449-78-0
- Molecular Formula
- C24H19F6S2Sb
- Molecular Mass
- 607.30 g/mol
Identifiers
CAS Registry Number
71449-78-0
SMILES
[F-].[F-].[F-].[F-].[F-].[F-].[Sb+5].c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1
InChI Key
SQPBZCDQRJYQKD-UHFFFAOYSA-H
InChI
InChI=1S/C24H19S2.6FH.Sb/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;;;;;;;/h1-19H;6*1H;/q+1;;;;;;;+5/p-6
Names and Synonyms
- Sulfonium, Diphenyl[4-(Phenylthio)Phenyl]-, (Oc-6-11)-Hexafluoroantimonate(1-) (1:1) Synonym
- Sulfonium, diphenyl[4-(phenylthio)phenyl]-, (OC-6-11)-hexafluoroantimonate(1-) (1:1) Synonym
- Sulfonium, diphenyl[4-(phenylthio)phenyl]-, hexafluoroantimonate(1-) Synonym
- Sulfonium, diphenyl[4-(phenylthio)phenyl]-, (OC-6-11)-hexafluoroantimonate(1-) Synonym
- Antimonate(1-), hexafluoro-, diphenyl[4-(phenylthio)phenyl]sulfonium Synonym
- Antimonate(1-), hexafluoro-, (OC-6-11)-, diphenyl[4-(phenylthio)phenyl]sulfonium Synonym
- (p-Thiophenoxyphenyl)diphenylsulfonium hexafluoroantimonate Synonym
- Diphenyl(p-thiophenoxyphenyl)sulfonium hexafluoroantimonate Synonym
- Diphenyl[p-(phenylthio)phenyl]sulfonium hexafluoroantimonate Synonym
- Diphenyl(4-phenylthiophenyl)sulfonium hexafluoroantimonate Synonym
- S,S-Diphenyl-S-4-thiophenoxyphenylsulfoniumhexafluoroantimonate Synonym
- 4-(Phenylthio)phenyldiphenylsulfonium hexafluoroantimonate Synonym
- (4-Thiophenoxyphenyl)diphenylsulfonium hexafluoroantimonate Synonym
- DTS 103 Synonym
- CPI 100A Synonym
- CPI 110A Synonym
- CPI 101A Synonym
- PAG 201 Synonym
- Aceto PI 6976 Synonym
- Photoinitiator 6976 Synonym
- UV 6976 Synonym
- Easepi 6976 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 607.30 g/mol | CAS Common Chemistry |
| 607.2980000000002 g/mol | RDKit | |
| 607.298 g/mol | RDKit | |
| 617.241 g/mol | chempirical lib | |
| Canonical SMILES | [F-][Sb+5]([F-])([F-])([F-])([F-])[F-].S(C=1C=CC=CC1)C2=CC=C(C=C2)[S+](C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C24H19S2.6FH.Sb/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;;;;;;;/h1-19H;6*1H;/q+1;;;;;;;+5/p-6 | CAS Common Chemistry |
| InChI Key | InChIKey=SQPBZCDQRJYQKD-UHFFFAOYSA-H | CAS Common Chemistry |
| Melting Point | 118-119 °C | CAS Common Chemistry |
| Name | Sulfonium, diphenyl[4-(phenylthio)phenyl]-, (OC-6-11)-hexafluoroantimonate(1-) (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -11.423600000000022 | RDKit |
| -11.4236 | RDKit | |
| Molar Refractivity | 117.808 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 605.987052628 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 607.30 g/mol. Edit any field — others recompute live.
