CAS No.: 122836-35-5 — Sulfentrazone (磺酰唑草酮)

1. Primary Information

English name:	Sulfentrazone
CAS No.:	122836-35-5
Molecular formula:	C₁₁H₁₀Cl₂F₂N₄O₃S
Molecular weight:	387.2 g/mol
SMILES:	CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)NS(=O)(=O)C)Cl)Cl
Structural class:
Other identifiers:	FP 846 FP-846 N-(2,4-dichloro-5-(4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenyl)methanesulfonamide sulfentrazone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	100mg	98%	240	2-8℃	in stock	-
Kehua Intelligence	1g	98%	217	2-8℃	in stock	-
Kehua Intelligence	5g	98%	736	2-8℃	in stock	-
Kehua Intelligence	25g	98%	1848	2-8℃	in stock	-
Kehua Intelligence	100g	98%	4800	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 34 0 0 0 0 0 0 0999 V2000 -0.5890 3.4810 0.3327 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4713 1.9930 -0.6384 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7051 -1.9469 0.4274 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2327 -0.8070 -1.0852 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6856 -2.0934 0.5879 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3297 -1.3699 -1.3691 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5209 -2.1153 1.2487 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4131 -3.1010 -0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2166 0.5212 0.0431 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1517 -0.5418 -0.1411 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1241 1.1764 0.8415 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3365 -0.8334 -0.8315 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1093 0.8809 -0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8416 -0.5751 -0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 0.5121 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.2156 -0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0585 -0.1139 -0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5351 2.2134 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8150 1.5441 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8806 2.5430 -0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2001 -1.4725 -0.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5051 0.8692 1.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8577 -0.9796 1.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.1603 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1424 -0.5287 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2013 3.5792 -0.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8269 -2.2247 -1.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3608 1.7480 2.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8389 0.0322 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2779 1.0865 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7031 -0.7098 0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3554 -0.0955 1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2075 -1.5986 2.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 3 7 2 0 0 0 0 3 8 2 0 0 0 0 3 12 1 0 0 0 0 3 23 1 0 0 0 0 4 21 1 0 0 0 0 5 21 1 0 0 0 0 6 14 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 21 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 13 18 2 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide

4.2 InChI

InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,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)