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2,4-Diethylthioxanthone
CAS: 82799-44-8 | C17H16OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
82799-44-8
Molecular Formula:
C17H16OS
Molecular Mass:
268.38 g/mol
Names and Synonyms:
2,4-Diethylthioxanthone
9H-Thioxanthen-9-one, 2,4-diethyl-
Photoinitiator DETX
Gencure DETX
Omnirad DETX
2,4-Diethyl-9H-thioxanthen-9-one
2,4-Diethylthioxanthone
Kayacure DETX
Kayacure DETX-S
DETX-S
Speedcure DETX
Genocure DETX
Esacure DETX
JRCure DETX
DETX
Daido UV-Cure DETX
Chemcure JETX
2,4-Diethylthioxanthen-9-one
Chivacure DETX
Chemcure DETX
Irgacure DETX
Identifiers:
SMILES:
CCc1cc(CC)c2sc3ccccc3c(=O)c2c1
InChI:
InChI=1S/C17H16OS/c1-3-11-9-12(4-2)17-14(10-11)16(18)13-7-5-6-8-15(13)19-17/h5-10H,3-4H2,1-2H3
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 | 268.38 g/mol | CAS Common Chemistry |
| 268.381 g/mol | RDKit | |
| 268.092186132 g/mol | RDKit | |
| Canonical SMILES | O=C1C=2C=CC=CC2SC=3C1=CC(=CC3CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C17H16OS/c1-3-11-9-12(4-2)17-14(10-11)16(18)13-7-5-6-8-15(13)19-17/h5-10H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BTJPUDCSZVCXFQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,4-Diethylthioxanthone | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 4.539500000000004 | RDKit |
| Molar Refractivity | 84.35700000000004 | RDKit |
