CAS No.: 35575-96-3 — Azamethiphos (甲基吡啶磷)

1. Primary Information

English name:	Azamethiphos
CAS No.:	35575-96-3
Molecular formula:	C₉H₁₀ClN₂O₅PS
Molecular weight:	324.68 g/mol
SMILES:	COP(=O)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O
Structural class:
Other identifiers:	azamethiphos S-6-chloro-2-oxooxazol(4,5-6)-pyridin-3-yl methyl O,O-dimethylphosphorothioate

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	1000μg/ml in acetone	312	2-8℃	in stock	-
Kehua Intelligence	100mg	98%	560	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 29 30 0 0 0 0 0 0 0999 V2000 5.3412 2.3402 0.3973 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6785 -0.4138 0.7218 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6069 -0.0521 -0.0301 P 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -2.0620 0.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5918 0.3534 1.1986 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6206 1.2823 -0.9587 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7353 -3.3271 -0.0308 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1051 -1.2579 -0.7843 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -1.0094 -0.3461 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5725 1.2884 -0.4238 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 -0.0337 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6598 -0.7443 -0.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8116 -0.6976 0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -2.2298 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9789 0.0012 0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9365 1.3804 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7282 1.9677 -0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9378 0.6923 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1863 2.5219 -0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 0.0988 -1.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0603 -1.6297 -1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -0.5068 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6517 3.0392 -0.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4669 0.8516 1.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4209 -0.1224 0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9799 1.6110 0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5766 2.6758 0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 3.3249 -1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 2.5506 -0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 8 2 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 7 14 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 11 13 2 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one

4.2 InChI

InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)