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Molecule
Fenthion
CAS: 55-38-9 · C10H15O3PS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 55-38-9
- Molecular Formula
- C10H15O3PS2
- Molecular Mass
- 278.33 g/mol
Identifiers
CAS Registry Number
55-38-9
SMILES
COP(=S)(OC)Oc1ccc(SC)c(C)c1
InChI Key
PNVJTZOFSHSLTO-UHFFFAOYSA-N
InChI
InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3
Names and Synonyms
- Fenthion Common Name
- BAY 29493 Synonym
- Phosphorothioic acid, O,O-dimethyl O-[3-methyl-4-(methylthio)phenyl] ester Synonym
- Phosphorothioic acid, O,O-dimethyl O-[4-(methylthio)-m-tolyl] ester Synonym
- Phosphorothioic acid, dimethyl [4-(methylthio)-m-tolyl] ester Synonym
- Phosphorothioic acid (H3PO3S), O,O-dimethyl O-4-(methylthio)-m-tolyl ester Synonym
- m-Cresol, 4-(methylthio)-, O-ester with O,O-di-Me phosphorothioate Synonym
- OMS 2 Synonym
- S 1752 Synonym
- Bayer 9007 Synonym
- B 29493 Synonym
- Baytex Synonym
- O,O-Dimethyl O-4-(methylmercapto)-3-methylphenyl phosphorothioate Synonym
- O,O-Dimethyl O-4-(methylmercapto)-3-methylphenyl thiophosphate Synonym
- O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl) phosphorothioate Synonym
- O,O-Dimethyl O-(4-methylthio-3-methylphenyl) phosphorothioate Synonym
- Entex Synonym
- Fenthion Synonym
- Mercaptophos Synonym
- Queletox Synonym
- O,O-Dimethyl O-(3-methyl-4-methylthiophenyl) thiophosphate Synonym
- Tiguvon Synonym
- Lebaycid Synonym
- O,O-Dimethyl O-[4-(methylthio)-m-tolyl] phosphorothioate Synonym
- Phenthion Synonym
- O,O-Dimethyl O-[4-(methylthio)-m-tolyl] thiophosphate Synonym
- ENT 25540 Synonym
- MPP Synonym
- Talodex Synonym
- Baycid Synonym
- MPP (pesticide) Synonym
- Sulfidophos Synonym
- Dimethyl 4-methylthio-m-tolyl phosphorothioate Synonym
- Mercaptofos Synonym
- Spotton Synonym
- Fenthion-methyl Synonym
- O,O-Dimethyl O-[3-methyl-4-(methylthio)phenyl] phosphorothioate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.33 g/mol | CAS Common Chemistry |
| 278.335 g/mol | RDKit | |
| 278.321 g/mol | chempirical lib | |
| Density | 1.25 g/cm³ | CAS Common Chemistry |
| 1.250 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fenthion | CAS Common Chemistry |
| Canonical SMILES | S=P(OC1=CC=C(SC)C(=C1)C)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PNVJTZOFSHSLTO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 7 °C | CAS Common Chemistry |
| Name | Fenthion | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 3.6130200000000023 | RDKit |
| 3.613 | RDKit | |
| 3.58 | chempirical lib | |
| Molar Refractivity | 71.89100000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4 | RDKit |
| Exact Mass | 278.02002297 g/mol | RDKit |
| Boiling Point | 87 °C @ 0.01 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 278.33 g/mol; density = 1.250 g/mL. Edit any field — others recompute live.
