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Molecule
Acephate
CAS: 30560-19-1 · C4H10NO3PS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 30560-19-1
- Molecular Formula
- C4H10NO3PS
- Molecular Mass
- 183.17 g/mol
Identifiers
CAS Registry Number
30560-19-1
SMILES
COP(=O)(N=C(C)O)SC
InChI Key
YASYVMFAVPKPKE-UHFFFAOYSA-N
InChI
InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)
Names and Synonyms
- Acephate Synonym
- Phosphoramidothioic acid, N-acetyl-, O,S-dimethyl ester Synonym
- Phosphoramidothioic acid, acetyl-, O,S-dimethyl ester Synonym
- RE 12420 Synonym
- O,S-Dimethyl N-acetylphosphoramidothioate Synonym
- Acephate Synonym
- Orthene Synonym
- Orthene-755 Synonym
- O,S-Dimethyl acetylphosphoramidothioate Synonym
- Acetamidophos Synonym
- Ortran Synonym
- O,S-Dimethyl N-acetylphosphoramidothiolate Synonym
- DMAP Synonym
- Acefate Synonym
- Orthene PCO Synonym
- Asataf Synonym
- Orthene 75SP Synonym
- Payload Synonym
- Orthene S Synonym
- Precise Synonym
- Orthene TTO 97 Synonym
- Orthene TTO Synonym
- Fire Ant Hayter Bait Synonym
- Ant Hayter Synonym
- Lepitect Synonym
- Orthene 97 Synonym
- Aciphid Synonym
- Orthorane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 183.17 g/mol | CAS Common Chemistry |
| 183.169 g/mol | RDKit | |
| 183.162 g/mol | chempirical lib | |
| Density | 1.40 g/cm³ | CAS Common Chemistry |
| 1.4 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acephate | CAS Common Chemistry |
| Canonical SMILES | O=C(NP(=O)(OC)SC)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7) | CAS Common Chemistry |
| InChI Key | InChIKey=YASYVMFAVPKPKE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 82-89 °C | CAS Common Chemistry |
| Name | Acephate | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 58.89 Ų | RDKit |
| LogP | 2.0803 | RDKit |
| Molar Refractivity | 43.86830000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 183.01190081 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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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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Quick conversion
MW = 183.17 g/mol; density = 1.400 g/mL. Edit any field — others recompute live.
