Back to Search
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
Names and Synonyms:
Fenthion
BAY 29493
Phosphorothioic acid, O,O-dimethyl O-[3-methyl-4-(methylthio)phenyl] ester
Phosphorothioic acid, O,O-dimethyl O-[4-(methylthio)-m-tolyl] ester
Phosphorothioic acid, dimethyl [4-(methylthio)-m-tolyl] ester
Phosphorothioic acid (H3PO3S), O,O-dimethyl O-4-(methylthio)-m-tolyl ester
m-Cresol, 4-(methylthio)-, O-ester with O,O-di-Me phosphorothioate
OMS 2
S 1752
Bayer 9007
B 29493
Baytex
O,O-Dimethyl O-4-(methylmercapto)-3-methylphenyl phosphorothioate
O,O-Dimethyl O-4-(methylmercapto)-3-methylphenyl thiophosphate
O,O-Dimethyl O-(3-methyl-4-methylmercaptophenyl) phosphorothioate
O,O-Dimethyl O-(4-methylthio-3-methylphenyl) phosphorothioate
Entex
Fenthion
Mercaptophos
Queletox
O,O-Dimethyl O-(3-methyl-4-methylthiophenyl) thiophosphate
Tiguvon
Lebaycid
O,O-Dimethyl O-[4-(methylthio)-m-tolyl] phosphorothioate
Phenthion
O,O-Dimethyl O-[4-(methylthio)-m-tolyl] thiophosphate
ENT 25540
MPP
Talodex
Baycid
MPP (pesticide)
Sulfidophos
Dimethyl 4-methylthio-m-tolyl phosphorothioate
Mercaptofos
Spotton
Fenthion-methyl
O,O-Dimethyl O-[3-methyl-4-(methylthio)phenyl] phosphorothioate
Identifiers:
SMILES:
COP(=S)(OC)Oc1ccc(SC)c(C)c1
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
Key Properties
Boiling Point
87 °C @ Press: 0.01 Torr
CAS Common Chemistry
Melting Point
7 °C
CAS Common Chemistry
Density
1.25 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 | 278.33 g/mol | CAS Common Chemistry |
| 278.335 g/mol | RDKit | |
| 278.02002297 g/mol | RDKit | |
| Density | 1.25 g/cm³ | CAS Common Chemistry |
| 1.250 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fenthion | CAS Common Chemistry |
| Boiling Point | 87 °C @ Press: 0.01 Torr | 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 |
| Molar Refractivity | 71.89100000000003 | RDKit |
