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Molecule
Pirimiphos-Methyl
CAS: 29232-93-7 · C11H20N3O3PS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 29232-93-7
- Molecular Formula
- C11H20N3O3PS
- Molecular Mass
- 305.34 g/mol
Identifiers
CAS Registry Number
29232-93-7
SMILES
CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1
InChI Key
QHOQHJPRIBSPCY-UHFFFAOYSA-N
InChI
InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3
Names and Synonyms
- Pirimiphos-Methyl Synonym
- Phosphorothioic acid, O-[2-(diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl ester Synonym
- 4-Pyrimidinol, 2-(diethylamino)-6-methyl-, O-ester with O,O-dimethyl phosphorothioate Synonym
- Plant Protection PP 511 Synonym
- Actellic Synonym
- Pirimiphos methyl Synonym
- PP 511 Synonym
- Methylpirimiphos Synonym
- 2-Diethylamino-6-methylpyrimidin-4-yl dimethyl phosphorothionate Synonym
- Methyl pyrimiphos Synonym
- O-[2-(Diethylamino)-6-methyl-4-pyrimidinyl] O,O-dimethyl phosphorothioate Synonym
- ENT 27699Gc Synonym
- Pirimiphos Me Synonym
- Pyrimidine phosphate Synonym
- 2-Diethylamino-6-methylpyrimidine-4-yl dimethyl phosphorothionate Synonym
- Pyrimiphos methyl Synonym
- Blex Synonym
- Silosan Synonym
- Actellic 50 Synonym
- VUCHT 388 Synonym
- Tomahawk Synonym
- Orafon Synonym
- Methylpyrimifos Synonym
- Actellic 25EC Synonym
- Piritione Synonym
- Dominator Synonym
- Rotator Synonym
- Actellic 50E Synonym
- Actellic Polvo Synonym
- Actellic Powder Synonym
- Pirimiphos M Synonym
- Actellic 50EC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 305.34 g/mol | CAS Common Chemistry |
| 305.34000000000003 g/mol | RDKit | |
| 305.333 g/mol | chempirical lib | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.17 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pirimiphos-methyl | CAS Common Chemistry |
| Canonical SMILES | S=P(OC1=NC(=NC(=C1)C)N(CC)CC)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QHOQHJPRIBSPCY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 15 °C | CAS Common Chemistry |
| Name | Pirimiphos methyl | CAS Common Chemistry |
| Pirimiphos-methyl | CAS Common Chemistry | |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 56.71000000000001 Ų | RDKit |
| 56.71 Ų | RDKit | |
| LogP | 2.5273200000000005 | RDKit |
| 2.5273 | RDKit | |
| 2.41 | chempirical lib | |
| Molar Refractivity | 79.26100000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6364 | RDKit |
| 0.64 | chempirical lib | |
| Exact Mass | 305.09629913 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 305.34 g/mol; density = 1.170 g/mL. Edit any field — others recompute live.
