CAS No.: 126-75-0 — Demeton-S (内吸磷-S)

1. Primary Information

English name:	Demeton-S
CAS No.:	126-75-0
Molecular formula:	C₈H₁₉O₃PS₂
Molecular weight:	258.3 g/mol
SMILES:	CCOP(=O)(OCC)SCCSCC
Structural class:
Other identifiers:	-

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in acetone	80	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in acetone	312	-20℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in dichloromethane	312	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	312	-20℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	80	-20℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 33 32 0 0 0 0 0 0 0999 V2000 -0.1451 -0.8677 0.7571 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2160 0.1317 -0.5318 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5784 -0.5250 -0.3955 P 0 0 0 0 0 0 0 0 0 0 0 0 2.8904 -0.9467 0.4677 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8017 1.0673 -0.6358 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4898 -1.2757 -1.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5164 -0.2682 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8336 -0.4648 0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1738 -0.7490 -0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9101 1.9441 0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5677 -0.2917 0.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2259 -1.2135 0.8837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1117 3.3563 -0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9030 0.1028 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5109 -0.8176 -1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3428 0.7908 -0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 0.0916 1.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9976 -1.5261 0.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2474 -1.3239 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3198 0.3101 -0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 1.8967 1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7544 1.6460 1.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5566 -1.3694 0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4260 0.2305 1.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2309 -1.0795 0.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1491 -0.6539 1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0828 -2.2706 1.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1963 4.0615 0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 3.4203 -0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 3.6603 -0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9594 1.1814 -0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0897 -0.4206 -0.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7137 -0.1584 0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 13 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane

4.2 InChI

InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3

4.3 InChIKey

GRPRVIYRYGLIJU-UHFFFAOYSA-N

4.4 Canonical SMILES

CCOP(=O)(OCC)SCCSCC

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)