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2-Methyl-1-[4-(Methylthio)Phenyl]-2-Morpholino-1-Propanone
CAS: 71868-10-5 | C15H21NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
71868-10-5
Molecular Formula:
C15H21NO2S
Molecular Mass:
279.40 g/mol
Names and Synonyms:
2-Methyl-1-[4-(Methylthio)Phenyl]-2-Morpholino-1-Propanone
IR 907
1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-
2-Methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-1-propanone
Irgacure 907
Irgacure I 907
2-Methyl-1-[4-(methylthio)phenyl]-2-morpholino-1-propanone
α-Methyl-4-(methylmercapto)-α-morpholinopropiophenone
Runtecure 1107
2-Methyl-1-[4-(methylthio)phenyl]-2-morpholinopropane-1-one
Irg 907
I 907
Photocure 907
Caccure 907
Genocure PMP
2-Methyl[4-(methylthio)phenyl]-2-morpholinopropan-1-one
2-Methyl-1-[4-(methylthio)phenyl]-2-morpholinopropanone
2-Methyl-4′-(methylthio)-2-morpholinopropiophenone
Irgacure 184C
Chemcure 709
2-Methyl-1-(4-methylsulfanylphenyl)-2-morpholinopropan-1-one
IC 907
SB-PI 777
Photoinitiator 907
IHT-PI 907
UV-Cure D 177
D 177
α-Methyl-4-(methylmercapto)-mopholinopropiophenone
Ciba 907
JR 907
Photoinitiator 970
GR 907
2-Methyl-1-[4-(methylthio)benzene]-2-(4-morpholinyl)-1-propanone
Irgacure 903
Luna 907
UV 907
2-Methyl-2-(4-morpholinyl)-1-[4-(methylthio)phenyl]-1-propanone
Omnirad 907
Gencure 907
2-Methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one
Identifiers:
SMILES:
CSc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1
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
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 | 279.40 g/mol | CAS Common Chemistry |
| 279.4049999999999 g/mol | RDKit | |
| 279.129299912 g/mol | RDKit | |
| 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 |
| LogP | 2.702000000000001 | RDKit |
| Molar Refractivity | 79.02450000000005 | RDKit |
