CAS No.: 5131-24-8 — Ditalimfos (灭菌磷)

1. Primary Information

English name:	Ditalimfos
CAS No.:	5131-24-8
Molecular formula:	C₁₂H₁₄NO₄PS
Molecular weight:	299.28 g/mol
SMILES:	CCOP(=S)(N1C(=O)C2=CC=CC=C2C1=O)OCC
Structural class:
Other identifiers:	O,O-diethyl phthalimidophosphothioate Plondrel

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	1000μg/ml in acetone	208	-20℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in acetone	80	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	208	-20℃	in stock	-
Kehua Intelligence	1ml	100μg/ml in ethanol	80	-20℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in ethanol	208	-20℃	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 -2.2208 0.0129 -2.7399 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -0.0981 -0.8598 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.4076 1.0175 0.1021 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2062 -1.4508 -0.0981 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1037 2.2758 0.1002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6121 -2.2090 -0.9004 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0525 0.0075 -0.4929 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9722 0.8144 0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1247 -0.5311 -0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5679 1.1654 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8197 -1.0552 -0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0322 1.5958 0.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3456 -1.1666 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 1.2083 0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 -1.5567 1.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2795 0.9732 0.6382 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4347 -0.3946 0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1909 2.2941 1.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6123 -2.9029 1.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9131 2.6470 0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 -2.2177 -0.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1161 1.5165 -0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3210 0.2729 0.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0295 -1.4620 1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6492 -0.7655 1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1436 1.5497 0.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4162 -0.8529 0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 2.4711 1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8867 2.0165 2.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6767 3.2303 0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5287 -3.0193 2.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6628 -3.0156 1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 -3.7141 1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 5 10 2 0 0 0 0 6 11 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 12 16 1 0 0 0 0 12 20 1 0 0 0 0 13 17 1 0 0 0 0 13 21 1 0 0 0 0 14 18 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 15 19 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-diethoxyphosphinothioylisoindole-1,3-dione

4.2 InChI

InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3

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)