CAS No.: 64249-01-0 — Anilofos (莎稗磷)

1. Primary Information

English name:	Anilofos
CAS No.:	64249-01-0
Molecular formula:	C₁₃H₁₉ClNO₃PS₂
Molecular weight:	367.9 g/mol
SMILES:	CC(C)N(C1=CC=C(C=C1)Cl)C(=O)CSP(=S)(OC)OC
Structural class:
Other identifiers:	(S-4-chloro-N'-isopropylcarbaniloylmethyl-O-O-dimethylphosphorodithioate) anilofos

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1ml	1000μg/ml in acetone	464	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methylbenzene	464	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	152	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol(anhydrous)	464	2-8℃	in stock	-
Kehua Intelligence	100mg	97%	704	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 40 40 0 0 0 0 0 0 0999 V2000 2.4607 -4.4413 -0.0722 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4294 1.6207 0.0059 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.7142 0.3874 0.2641 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8041 -0.0029 0.0427 P 0 0 0 0 0 0 0 0 0 0 0 0 0.0296 3.1142 0.0286 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2608 -1.0625 1.1632 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5065 -0.9075 -1.2867 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6285 1.4051 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8001 2.2945 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8325 -0.0317 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6361 2.0645 1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6289 2.0915 -1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3095 1.9128 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7922 0.8634 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9204 -0.6512 -1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9254 -0.6820 1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1171 -2.0319 -1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -2.0628 1.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 -2.7378 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 -0.7335 2.5419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8175 -0.4091 -2.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4455 3.3314 0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 2.1478 2.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4297 2.8171 1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1237 1.0843 1.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4221 2.8455 -1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1173 1.1121 -1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0118 2.1946 -2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7175 0.2175 -0.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7171 0.2674 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8329 -0.1084 -2.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8422 -0.1632 2.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1876 -2.5449 -2.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1965 -2.6000 2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2993 -0.9470 2.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5735 -1.3519 3.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0578 0.3186 2.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8833 -0.5436 -2.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5537 0.6475 -2.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2462 -0.9771 -3.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 3 4 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 13 2 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

N-(4-chlorophenyl)-2-dimethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide

4.2 InChI

InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3

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)