CAS No.: 56070-16-7 — Terbufos sulfone (特丁磷砜)

1. Primary Information

English name:	Terbufos sulfone
CAS No.:	56070-16-7
Molecular formula:	C₉H₂₁O₄PS₃
Molecular weight:	320.4 g/mol
SMILES:	CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C
Structural class:
Other identifiers:	terbufos sulfone

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in acetone	184	2-8℃	in stock	-
Kehua Intelligence	1ml	1000μg/ml in acetone	560	2-8℃	in stock	-
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	184	2-8℃	in stock	-
Kehua Intelligence	1.2ml	1000μg/ml in methanol	560	2-8℃	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 38 37 0 0 0 0 0 0 0999 V2000 -2.2963 -0.1389 -0.8637 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6321 -0.1137 -1.5002 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1191 0.2647 -1.5318 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4843 0.0642 -0.4684 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.4675 -1.4679 -1.4184 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 1.0453 -1.6554 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5788 -1.1701 0.5984 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3422 1.3162 0.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2953 -0.0409 0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9256 -1.2000 1.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0255 1.2968 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7704 -0.1376 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6388 -0.0116 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 -2.5041 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2256 2.6470 0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 -3.4333 1.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1105 3.5840 1.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9243 -1.0995 1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6168 -1.2394 2.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9821 -2.1705 1.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 2.1489 0.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7186 1.4359 2.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0191 1.3602 1.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9864 -1.0821 -0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0566 0.6743 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4227 -0.0805 1.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5248 0.9491 0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4595 -0.8297 0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8608 -2.7637 -0.4924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6316 -2.6013 -0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1065 2.9143 -0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3383 2.7347 -0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8838 -4.4738 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -3.1747 1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 -3.3402 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 4.6223 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2376 3.3284 1.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9885 3.4963 1.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 3 4 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 16 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 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

tert-butylsulfonylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane

4.2 InChI

InChI=1S/C9H21O4PS3/c1-6-12-14(15,13-7-2)16-8-17(10,11)9(3,4)5/h6-8H2,1-5H3

4.3 InChIKey

DWZSTEUTHNUVQD-UHFFFAOYSA-N

4.4 Canonical SMILES

CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)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)