CAS No.: 3761-41-9 — Mesulfenfos (倍硫磷亚砜)

1. Primary Information

English name:	Mesulfenfos
CAS No.:	3761-41-9
Molecular formula:	C₁₀H₁₅O₄PS₂
Molecular weight:	294.3 g/mol
SMILES:	CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)C
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	100μg/ml in acetone	152	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in acetone	416	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	136	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol(anhydrous)	416	2-8℃	in stock	-
Kehua Intelligence	10mg	99%	400	2-8℃	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 -4.2274 0.2330 0.1217 S 0 0 1 0 0 0 0 0 0 0 0 0 2.6523 0.4656 -2.1585 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8006 0.0251 -0.2644 P 0 0 0 0 0 0 0 0 0 0 0 0 1.6126 -0.8727 0.3767 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1118 -0.8407 0.1637 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8933 1.2649 0.7851 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9442 -0.9769 0.6791 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 0.9783 0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4562 -0.0716 0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2708 -0.6083 0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1707 0.7093 0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0071 -1.3906 0.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6398 -1.6598 0.3226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9763 2.4056 0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4693 0.2218 -1.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2474 -2.1812 -0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8401 2.2982 0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5276 1.5383 0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7009 -2.2271 0.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2938 -2.6884 0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1279 3.0963 0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4837 2.6104 -0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6440 2.6466 0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1401 -0.7355 -2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9033 1.0386 -2.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5332 0.3600 -1.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1688 -2.5938 0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3086 -2.2156 -1.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4024 -2.7817 0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 2.8643 1.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4842 2.9713 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8103 1.8776 0.2952 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 10 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-λ5-phosphane

4.2 InChI

InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3

4.3 InChIKey

DLAPIMGBBDILHJ-UHFFFAOYSA-N

4.4 Canonical SMILES

CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)C

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

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)