Back to Search
Fenamiphos
CAS: 22224-92-6 | C13H22NO3PS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22224-92-6
Molecular Formula:
C13H22NO3PS
Molecular Mass:
303.36 g/mol
Names and Synonyms:
Fenamiphos
Phosphoramidic acid, N-(1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester
Phosphoramidic acid, isopropyl-, ethyl 4-(methylthio)-m-tolyl ester
Phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester
B 68138
Ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidate
BAY 68138
Bayer 68138
Nemacur P
Nemacur
Phenamiphos
Ethyl 3-methyl-4-(methylthio)phenyl (1-methylethyl)phosphoramidate
Fenamiphos
Fenamifos
Fenamithion
Identifiers:
SMILES:
CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1
InChI:
InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)
Key Properties
Melting Point
49.2 °C
CAS Common Chemistry
Density
1.19 g/cm³
CAS Common Chemistry
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 | 303.36 g/mol | CAS Common Chemistry |
| 303.36400000000003 g/mol | RDKit | |
| 303.105801194 g/mol | RDKit | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.191 g/cm3 @ Temp: 23 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fenamiphos | CAS Common Chemistry |
| Canonical SMILES | O=P(OC1=CC=C(SC)C(=C1)C)(OCC)NC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=ZCJPOPBZHLUFHF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 49.2 °C | CAS Common Chemistry |
| Name | Fenamiphos | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 47.56 Ų | RDKit |
| LogP | 4.238320000000003 | RDKit |
| Molar Refractivity | 81.09220000000005 | RDKit |
