CAS No.: 153719-23-4 — Thiamethoxam (噻虫嗪)

1. Primary Information

English name:	Thiamethoxam
CAS No.:	153719-23-4
Molecular formula:	C₈H₁₀ClN₅O₃S
Molecular weight:	291.72 g/mol
SMILES:	CN1COCN(C1=N[N+](=O)[O-])CC2=CN=C(S2)Cl
Structural class:
Other identifiers:	3-(2-Chloro-thiazol-5-ylmethyl)-5-methyl-(1,3,5)oxadiazinan-4-yldene-N-nitroamine Actara ACTARA 25 WG CGA 293343 CGA-293343

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	216	2-8℃	in stock	-
Kehua Intelligence	1ml	100μg/ml in acetone	80	-20℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	80	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	208	-20℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	80	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetonitrile	80	-20℃	in stock	-
Kehua Intelligence	1g	95%	64	2-8℃	in stock	-
Kehua Intelligence	5g	95%	84	2-8℃	in stock	-
Kehua Intelligence	25g	95%	224	2-8℃	in stock	-
Kehua Intelligence	100g	95%	768	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 28 29 0 0 0 0 0 0 0999 V2000 4.5868 1.9018 -1.1725 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1923 1.1657 0.4309 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7627 -2.7959 -0.3671 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1739 2.0306 0.9437 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8040 2.6401 -0.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4013 -1.1425 0.6835 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2435 -0.4671 -0.6416 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1679 1.0856 0.8247 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8775 -0.5759 -0.4688 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0884 1.9417 0.3490 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4437 -2.4557 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2738 -0.1131 0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7255 -0.8918 1.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2757 -1.7970 -1.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9209 -0.4815 0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1745 0.5061 -1.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8991 -1.2609 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6072 0.7099 -0.4264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2264 -2.4879 -0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1222 -3.2345 0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9650 -1.7994 2.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4758 -0.1385 2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3028 -2.0947 -1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7016 -1.8029 -2.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7320 1.2283 -1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0031 0.8066 -0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7736 -0.0438 -1.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9613 -2.3387 0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 11 1 0 0 0 0 3 14 1 0 0 0 0 4 10 1 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 17 1 0 0 0 0 9 18 2 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 M CHG 2 4 -1 10 1

4. International Nomenclature & Identifiers

4.1 IUPAC Name

(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide

4.2 InChI

InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+

4.3 InChIKey

NWWZPOKUUAIXIW-DHZHZOJOSA-N

4.4 Canonical SMILES

CN1COCN(C1=N[N+](=O)[O-])CC2=CN=C(S2)Cl

4.5 Isomeric SMILES

CN\1COCN(/C1=N/[N+](=O)[O-])CC2=CN=C(S2)Cl

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)