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Molecule
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
Identifiers
CAS Registry Number
22224-92-6
SMILES
CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1
InChI Key
ZCJPOPBZHLUFHF-UHFFFAOYSA-N
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)
Names and Synonyms
- Fenamiphos Common Name
- Phosphoramidic acid, N-(1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester Synonym
- Phosphoramidic acid, isopropyl-, ethyl 4-(methylthio)-m-tolyl ester Synonym
- Phosphoramidic acid, (1-methylethyl)-, ethyl 3-methyl-4-(methylthio)phenyl ester Synonym
- B 68138 Synonym
- Ethyl 4-(methylthio)-m-tolyl isopropylphosphoramidate Synonym
- BAY 68138 Synonym
- Bayer 68138 Synonym
- Nemacur P Synonym
- Nemacur Synonym
- Phenamiphos Synonym
- Ethyl 3-methyl-4-(methylthio)phenyl (1-methylethyl)phosphoramidate Synonym
- Fenamiphos Synonym
- Fenamifos Synonym
- Fenamithion Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 303.36 g/mol | CAS Common Chemistry |
| 303.36400000000003 g/mol | RDKit | |
| 303.364 g/mol | RDKit | |
| 303.357 g/mol | chempirical lib | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.191 g/cm3 @ 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 |
| 4.2383 | RDKit | |
| Molar Refractivity | 81.09220000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5385 | RDKit |
| 0.54 | chempirical lib | |
| Exact Mass | 303.105801194 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.
External Resources
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MW = 303.36 g/mol; density = 1.190 g/mL. Edit any field — others recompute live.
