CAS No.: 2312-35-8 — Propargite (-)

1. Primary Information

English name:	Propargite
CAS No.:	2312-35-8
Molecular formula:	C₁₉H₂₆O₄S
Molecular weight:	350.5 g/mol
SMILES:	CC(C)(C)C1=CC=C(C=C1)OC2CCCCC2OS(=O)OCC#C
Structural class:
Other identifiers:	2-(4-tert-butylphenoxy)cyclohexyl-2-propynyl sulfite Comite omait Omite omite-CR

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methanol	56	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	208	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in acetonitrile	208	-20℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in n-hexane	208	-20℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in n-hexane	80	-20℃	in stock	-
Kehua Intelligence	100mg	96%	390	-20℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methanol	44	-20℃ 避光	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	166	-20℃ 避光	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 50 51 0 1 0 0 0 0 0999 V2000 -2.9151 -0.8262 -1.5868 S 0 0 2 0 0 0 0 0 0 0 0 0 -0.0670 0.9089 1.1688 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6528 0.0012 -1.0262 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4787 -1.3755 -0.1795 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -1.9875 -2.3772 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7006 1.7985 0.2507 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9923 1.1470 -0.2467 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9732 3.1274 0.9546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8141 2.1068 -1.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7878 4.0766 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0835 3.4248 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0854 -0.9188 -0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1826 0.4664 0.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7237 -0.4357 0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4115 -0.8967 0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2143 1.3818 0.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6855 -1.3490 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4882 0.9296 0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0633 -1.6946 -1.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1686 0.1967 -0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6573 -1.8831 0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5302 -2.3246 -0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9689 -2.7584 1.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3303 -3.1155 2.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0572 1.9820 -0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5740 0.8284 0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5048 2.9412 1.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 3.6036 1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7849 1.6805 -1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2902 2.3009 -2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0181 4.9881 0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1907 4.3790 -0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6151 4.1088 -1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7394 3.2462 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 -1.6109 0.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0501 2.4471 0.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8406 -2.4174 0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2585 1.6820 0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 -1.0603 -2.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4313 -2.5879 -1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0684 -2.0257 -1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3168 0.7637 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8971 0.8970 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1399 -0.2355 -0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7030 -1.3867 1.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6698 -2.2163 0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0411 -2.7816 0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3767 -1.8763 -0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1882 -3.1996 -0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6507 -3.4322 3.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 4 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 3 0 0 0 0 24 50 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

[2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite

4.2 InChI

InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3

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)