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Molecule

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

Identifiers

CAS Registry Number

86-50-0

SMILES

COP(=S)(OC)SCn1nnc2ccccc2c1=O

InChI Key

CJJOSEISRRTUQB-UHFFFAOYSA-N

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

Names and Synonyms

  • Azinphos-Methyl Common Name
  • Phosphorodithioic acid, O,O-dimethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester Synonym
  • Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 3-(mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one Synonym
  • 1,2,3-Benzotriazine, phosphorodithioic acid deriv. Synonym
  • Bayer 17147 Synonym
  • ENT 23,233 Synonym
  • S-(3,4-Dihydro-4-oxo-benzo[d][1,2,3]triazin-3-ylmethyl) O,O-dimethyl phosphorodithioate Synonym
  • S-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-ylmethyl) O,O-dimethyl phosphorodithioate Synonym
  • O,O-Dimethyl S-(4-oxo-3H-1,2,3-benzotriazine-3-methyl)phosphorodithioate Synonym
  • O,O-Dimethyl S-(4-oxobenzotriazino-3-methyl)phosphorodithioate Synonym
  • O,O-Dimethyl S-4-oxo-1,2,3-benzotriazin-3(4H)-ylmethyl phosphorodithioate Synonym
  • O,O-Dimethylphosphorodithioate S-ester with 3-(mercaptomethyl)-1,2,3-benzotriazin-4-(3H)-one Synonym
  • Guthion Synonym
  • 3-(Mercaptomethyl)-1,2,3-benzotriazin-4(3H)-one O,O-dimethyl phosphorodithioate S-ester Synonym
  • Azinphos-methyl Synonym
  • Methyl guthion Synonym
  • Cotneon Synonym
  • Azinfos-methyl Synonym
  • Gusathion M Synonym
  • Gusathion 20 Synonym
  • Cotnion Synonym
  • Azinphos Synonym
  • Gusathion Synonym
  • Gusathion 25 Synonym
  • Methylgusathion Synonym
  • O,O-Dimethyl S-(3,4-dihydro-4-oxo-1,2,3-benzotriazin-3-yl-methyl) dithiophosphate Synonym
  • S-(3,4-Dihydro-4-oxobenzo[d]-1,2,3-triazin-3-ylmethyl) dimethyl phosphorothiolothionate Synonym
  • O,O-Dimethyl S-[4-oxo-1,2,3-benzotriazine-3(4H)-ylmethyl] phosphorodithioate Synonym
  • Gusathion-methyl Synonym
  • Methyl-azinphos Synonym
  • Azinphos M Synonym
  • Carfene Synonym
  • Pancide Synonym
  • Toxation Synonym
  • Azinugec Synonym
  • Cotnion-methyl Synonym
  • Sepizin M Synonym
  • Metazintox Synonym
  • BAY 17147 Synonym
  • Azimil Synonym
  • Methyltriazothion Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 317.33 g/mol CAS Common Chemistry
317.33200000000005 g/mol RDKit
317.332 g/mol RDKit
317.318 g/mol chempirical lib
Density 1.44 g/cm³ CAS Common Chemistry
1.44 g/cm3 @ 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
7 RDKit
Hydrogen Bond Donors 0 RDKit
Rotatable Bonds 5 RDKit
Aromatic Ring Count 2 RDKit
Topological Polar Surface Area 66.24000000000001 Ų RDKit
66.24 Ų RDKit
LogP 1.9994999999999998 RDKit
1.9995 RDKit
Molar Refractivity 79.69200000000002 cm³/mol RDKit
Ring Count 2 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.3 RDKit
Exact Mass 317.005769874 g/mol RDKit

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

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 = 317.33 g/mol; density = 1.440 g/mL. Edit any field — others recompute live.

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