CAS No.: 731-27-1 — Tolylfluanid (甲苯氟磺胺)

1. Primary Information

English name:	Tolylfluanid
CAS No.:	731-27-1
Molecular formula:	C₁₀H₁₃Cl₂FN₂O₂S₂
Molecular weight:	347.3 g/mol
SMILES:	CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C
Structural class:
Other identifiers:	Euparen M N-dichlorofluoromethylthio-N',N'-dimethyl-N-p-tolylsulfamide tolyfluanid tolylfluanid

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	20mg	GC≥99%	240	-20℃	in stock	-
Kehua Intelligence	1ml	100μg/ml in methanol	152	-20℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in methanol	464	-20℃	in stock	-
Kehua Intelligence	50mg	GC≥96%	537	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 32 32 0 1 0 0 0 0 0999 V2000 -0.5991 -4.4863 -0.4830 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9663 -2.7830 1.8387 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0881 1.0577 -0.6241 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3686 -1.6770 -0.8920 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 -2.5017 0.1038 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4470 0.5883 -0.4003 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7174 1.5265 -1.9474 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -0.1770 -0.0989 N 0 0 1 0 0 0 0 0 0 0 0 0 -1.8025 2.3224 0.5133 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4269 0.1355 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1059 0.2760 -1.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0719 0.2872 1.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1319 0.7323 -0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6887 3.2738 0.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0401 2.0330 1.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4679 0.5764 -1.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4338 0.5877 1.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5879 1.0549 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4217 -2.8268 0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6124 0.1619 -2.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5418 0.1635 2.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9952 4.2634 0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4478 3.3735 -0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2096 2.9754 0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4241 2.9354 2.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 1.7276 2.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7929 1.2504 2.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0003 0.6891 -2.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9401 0.7058 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0734 0.6379 0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0979 0.6311 -0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 2.1398 -0.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 19 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 8 1 0 0 0 0 4 19 1 0 0 0 0 5 19 1 0 0 0 0 8 10 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 0 0 0 0 12 17 2 0 0 0 0 12 21 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline

4.2 InChI

InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3

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)