CAS No.: 130000-40-7 — Thifluzamide (噻呋酰胺)

1. Primary Information

English name:	Thifluzamide
CAS No.:	130000-40-7
Molecular formula:	C₁₃H₆BR₂F₆N₂O₂S
Molecular weight:	528.06 g/mol
SMILES:	CC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2Br)OC(F)(F)F)Br)C(F)(F)F
Structural class:
Other identifiers:	2',6'-dibromo-2-methyl-4'-trifluoromethoxy-4-trifluoromethyl-1,3-thiazole-5-carboxanilide MON 24000 MON-24000 MON24000 thifluzamide

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in acetonitrile	312	2-8℃	in stock	-
Kehua Intelligence	100mg	HPLC≥99%	480	2-8℃	in stock	-
Kehua Intelligence	25mg	98%	40	2-8℃	in stock	-
Kehua Intelligence	100mg	98%	60	2-8℃	in stock	-
Kehua Intelligence	500mg	98%	160	2-8℃	in stock	-
Kehua Intelligence	5g	98%	432	2-8℃	in stock	-
Kehua Intelligence	25g	98%	1600	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 32 33 0 0 0 0 0 0 0999 V2000 -1.0382 -2.4781 -1.6130 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.4945 1.3089 2.7077 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -2.0568 0.2487 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8225 2.3852 -0.6553 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 2.4593 0.5167 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7405 2.0096 -1.6088 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.9390 1.1782 -1.2122 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.8310 1.0770 -0.1234 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.1622 -0.6615 -1.2661 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0831 -0.1083 0.6731 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 0.9268 -1.0084 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -0.7171 0.5126 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0580 -0.4230 0.0088 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7659 -0.4278 -0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8974 0.2996 -0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 -0.5634 0.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3682 0.0114 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7425 -1.6768 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7657 -1.2795 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5381 0.3058 1.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7308 -0.2575 0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0214 1.7441 -0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1516 -1.1266 -0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9239 0.4587 1.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7238 -2.7529 0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7433 0.3647 -0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7883 -1.4799 1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7858 -1.6879 -0.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3887 1.1333 2.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5705 -3.1960 1.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6478 -3.5433 -0.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7445 -2.3580 0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 14 1 0 0 0 0 3 18 1 0 0 0 0 4 22 1 0 0 0 0 5 22 1 0 0 0 0 6 22 1 0 0 0 0 7 26 1 0 0 0 0 8 26 1 0 0 0 0 9 26 1 0 0 0 0 10 21 1 0 0 0 0 10 26 1 0 0 0 0 11 17 2 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 22 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 18 25 1 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 28 1 0 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 25 31 1 0 0 0 0 25 32 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-[2,6-dibromo-4-(trifluoromethoxy)phenyl]-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

4.2 InChI

InChI=1S/C13H6Br2F6N2O2S/c1-4-22-10(12(16,17)18)9(26-4)11(24)23-8-6(14)2-5(3-7(8)15)25-13(19,20)21/h2-3H,1H3,(H,23,24)

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)