CAS No.: 111988-49-9 — Thiacloprid (-)

1. Primary Information

English name:	Thiacloprid
CAS No.:	111988-49-9
Molecular formula:	C₁₀H₉ClN₄S
Molecular weight:	252.72 g/mol
SMILES:	C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl
Structural class:
Other identifiers:	3-((6-chloro-3-pyridinyl)methyl)-2-thiazolidinylidene cyanamide calypso thiacloprid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	640	2-8℃	in stock	-
Kehua Intelligence	1ml	100μg/ml in acetone	152	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	152	2-8℃；避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	360	2-8℃；避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 26 0 0 0 0 0 0 0999 V2000 4.8587 1.1967 -1.1226 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.2553 -0.5791 -0.9302 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1149 -1.0577 0.4551 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9527 1.2101 0.5241 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5936 1.3988 0.1215 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7869 2.6612 -0.3615 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 -2.3796 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0437 -0.9571 1.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4109 -2.1659 -1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9707 -0.0228 0.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2151 -0.4615 0.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 -1.3542 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 0.8878 0.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2758 -0.8667 -0.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4638 0.5058 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9374 1.9842 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1103 -2.8695 0.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6824 -3.0198 -0.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 -1.9294 1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3283 -0.2896 2.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7928 -2.0637 -2.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1231 -2.9816 -1.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9447 -2.4253 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8086 1.6294 1.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9985 -1.5510 -0.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 4 10 2 0 0 0 0 4 16 1 0 0 0 0 5 13 1 0 0 0 0 5 15 2 0 0 0 0 6 16 3 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 11 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide

4.2 InChI

InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2

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)