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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
Names and Synonyms:
Acephate
Phosphoramidothioic acid, N-acetyl-, O,S-dimethyl ester
Phosphoramidothioic acid, acetyl-, O,S-dimethyl ester
RE 12420
O,S-Dimethyl N-acetylphosphoramidothioate
Acephate
Orthene
Orthene-755
O,S-Dimethyl acetylphosphoramidothioate
Acetamidophos
Ortran
O,S-Dimethyl N-acetylphosphoramidothiolate
DMAP
Acefate
Orthene PCO
Asataf
Orthene 75SP
Payload
Orthene S
Precise
Orthene TTO 97
Orthene TTO
Fire Ant Hayter Bait
Ant Hayter
Lepitect
Orthene 97
Aciphid
Orthorane
Identifiers:
SMILES:
COP(=O)(N=C(C)O)SC
InChI:
InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)
Key Properties
Melting Point
82-89 °C
CAS Common Chemistry
Density
1.40 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 | 183.17 g/mol | CAS Common Chemistry |
| 183.169 g/mol | RDKit | |
| 183.01190081 g/mol | RDKit | |
| 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 | RDKit |
