CAS No.: 68786-66-3 — Triclabendazole (三氯苯哒唑)

1. Primary Information

English name:	Triclabendazole
CAS No.:	68786-66-3
Molecular formula:	C₁₄H₉Cl₃N₂OS
Molecular weight:	359.7 g/mol
SMILES:	CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl
Structural class:
Other identifiers:	6-chloro-5-(2,3-dichlorophenoxy)-2-methylthiobenzimidazole Egaten Fasicare Fasinex Flukare

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	HPLC≥98%	320	2-8℃	in stock	-
Kehua Intelligence	5g	98%	72	2-8℃	in stock	-
Kehua Intelligence	25g	98%	192	2-8℃	in stock	-
Kehua Intelligence	100g	98%	520	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 30 32 0 0 0 0 0 0 0999 V2000 -0.2074 3.8201 0.1743 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9433 -0.8973 2.3462 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.9437 -2.5557 0.4467 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4101 -1.5906 -0.4271 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4171 1.1727 0.8689 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8661 0.6108 -0.3675 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7724 -1.2447 0.1805 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5801 1.0079 -0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9173 -0.1681 0.2347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0913 1.1294 0.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5533 -0.1138 0.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9586 2.2568 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6008 2.2924 0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9309 -0.7423 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2901 0.4352 0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0673 -0.5660 0.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3588 0.7333 -1.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9374 -1.2898 -0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2289 0.0094 -2.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0182 -1.0022 -1.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9141 -3.2975 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0297 -1.0232 0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5105 3.1509 -0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6306 1.2107 -0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7611 1.5246 -1.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2938 0.2351 -3.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6911 -1.5556 -2.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1279 -3.6269 -0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5564 -3.3726 0.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7786 -3.9560 -0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 16 1 0 0 0 0 3 18 1 0 0 0 0 4 14 1 0 0 0 0 4 21 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 2 0 0 0 0 17 25 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 20 27 1 0 0 0 0 21 28 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

6-chloro-5-(2,3-dichlorophenoxy)-2-methylsulfanyl-1H-benzimidazole

4.2 InChI

InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)

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)