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Molecule
2-Methyl-1-[4-(Methylthio)Phenyl]-2-Morpholino-1-Propanone
CAS: 71868-10-5 · C15H21NO2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 71868-10-5
- Molecular Formula
- C15H21NO2S
- Molecular Mass
- 279.40 g/mol
Identifiers
CAS Registry Number
71868-10-5
SMILES
CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1
InChI Key
LWRBVKNFOYUCNP-UHFFFAOYSA-N
InChI
InChI=1S/C15H21NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3
Names and Synonyms
- 2-Methyl-1-[4-(Methylthio)Phenyl]-2-Morpholino-1-Propanone Synonym
- IR 907 Synonym
- 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)- Synonym
- 2-Methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-1-propanone Synonym
- Irgacure 907 Synonym
- Irgacure I 907 Synonym
- 2-Methyl-1-[4-(methylthio)phenyl]-2-morpholino-1-propanone Synonym
- α-Methyl-4-(methylmercapto)-α-morpholinopropiophenone Synonym
- Runtecure 1107 Synonym
- 2-Methyl-1-[4-(methylthio)phenyl]-2-morpholinopropane-1-one Synonym
- Irg 907 Synonym
- I 907 Synonym
- Photocure 907 Synonym
- Caccure 907 Synonym
- Genocure PMP Synonym
- 2-Methyl[4-(methylthio)phenyl]-2-morpholinopropan-1-one Synonym
- 2-Methyl-1-[4-(methylthio)phenyl]-2-morpholinopropanone Synonym
- 2-Methyl-4′-(methylthio)-2-morpholinopropiophenone Synonym
- Irgacure 184C Synonym
- Chemcure 709 Synonym
- 2-Methyl-1-(4-methylsulfanylphenyl)-2-morpholinopropan-1-one Synonym
- IC 907 Synonym
- SB-PI 777 Synonym
- Photoinitiator 907 Synonym
- IHT-PI 907 Synonym
- UV-Cure D 177 Synonym
- D 177 Synonym
- α-Methyl-4-(methylmercapto)-mopholinopropiophenone Synonym
- Ciba 907 Synonym
- JR 907 Synonym
- Photoinitiator 970 Synonym
- GR 907 Synonym
- 2-Methyl-1-[4-(methylthio)benzene]-2-(4-morpholinyl)-1-propanone Synonym
- Irgacure 903 Synonym
- Luna 907 Synonym
- UV 907 Synonym
- 2-Methyl-2-(4-morpholinyl)-1-[4-(methylthio)phenyl]-1-propanone Synonym
- Omnirad 907 Synonym
- Gencure 907 Synonym
- 2-Methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 279.40 g/mol | CAS Common Chemistry |
| 279.4049999999999 g/mol | RDKit | |
| 279.405 g/mol | RDKit | |
| 281.291 g/mol | chempirical lib | |
| Canonical SMILES | O=C(C1=CC=C(SC)C=C1)C(N2CCOCC2)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H21NO2S/c1-15(2,16-8-10-18-11-9-16)14(17)12-4-6-13(19-3)7-5-12/h4-7H,8-11H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LWRBVKNFOYUCNP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Methyl-1-[4-(methylthio)phenyl]-2-morpholino-1-propanone | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 29.540000000000003 Ų | RDKit |
| 29.54 Ų | RDKit | |
| 29.31 Ų | chempirical lib | |
| LogP | 2.702000000000001 | RDKit |
| 2.702 | RDKit | |
| Molar Refractivity | 79.02450000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5333 | RDKit |
| Exact Mass | 279.129299912 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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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.
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MW = 279.40 g/mol. Edit any field — others recompute live.
