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Azinphos-Methyl
CAS: 86-50-0 | C10H12N3O3PS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
86-50-0
Molecular Formula:
C10H12N3O3PS2
Molecular Mass:
317.33 g/mol
Names and Synonyms:
Azinphos-Methyl
Phosphorodithioic acid, O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester
Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one
1,2,3-Benzotriazine, phosphorodithioic acid deriv.
Bayer 17147
ENT 23,233
S-(3,4-Dihydro-4-oxo-benzo[d][1,2,3]triazin-3-ylmethyl) O,O-dimethyl phosphorodithioate
S-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-ylmethyl) O,O-dimethyl phosphorodithioate
O,O-Dimethyl S-(4-oxo-3H-1,2,3-benzotriazine-3-methyl)phosphorodithioate
O,O-Dimethyl S-(4-oxobenzotriazino-3-methyl)phosphorodithioate
O,O-Dimethyl S-4-oxo-1,2,3-benzotriazin-3(4H)-ylmethyl phosphorodithioate
O,O-Dimethylphosphorodithioate S-ester with 3-(mercaptomethyl)-1,2,3-benzotriazin-4-(3H)-one
Guthion
3-(Mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one O,O-dimethyl phosphorodithioate S-ester
Azinphos-methyl
Methyl guthion
Cotneon
Azinfos-methyl
Gusathion M
Gusathion 20
Cotnion
Azinphos
Gusathion
Gusathion 25
Methylgusathion
O,O-Dimethyl S-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl-methyl) dithiophosphate
S-(3,4-Dihydro-4-oxobenzo[d]-1,2,3-triazin-3-ylmethyl) dimethyl phosphorothiolothionate
O,O-Dimethyl S-[4-oxo-1,2,3-benzotriazine-3(4H)-ylmethyl] phosphorodithioate
Gusathion-methyl
Methyl-azinphos
Azinphos M
Carfene
Pancide
Toxation
Azinugec
Cotnion-methyl
Sepizin M
Metazintox
BAY 17147
Azimil
Methyltriazothion
Identifiers:
SMILES:
COP(=S)(OC)SCn1nnc2ccccc2c1=O
InChI:
InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3
Key Properties
Melting Point
72-74 °C
CAS Common Chemistry
Density
1.44 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 | 317.33 g/mol | CAS Common Chemistry |
| 317.33200000000005 g/mol | RDKit | |
| 317.005769874 g/mol | RDKit | |
| Density | 1.44 g/cm³ | CAS Common Chemistry |
| 1.44 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Azinphos-methyl | CAS Common Chemistry |
| Canonical SMILES | O=C1C=2C=CC=CC2N=NN1CSP(=S)(OC)OC | CAS Common Chemistry |
| InChI | InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CJJOSEISRRTUQB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 72-74 °C | CAS Common Chemistry |
| Name | Azinphos-methyl | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 66.24000000000001 Ų | RDKit |
| LogP | 1.9994999999999998 | RDKit |
| Molar Refractivity | 79.69200000000002 | RDKit |
