CAS No.: 2227-13-6 — Tetrasul (2,4,4,5-Tetrachlorodiphenylsulphide)

1. Primary Information

English name:	Tetrasul
CAS No.:	2227-13-6
Molecular formula:	C₁₂H₆Cl₄S
Molecular weight:	324.0 g/mol
SMILES:	C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl
Structural class:
Other identifiers:	4-chlorophenyl-2,4,5-trichlorophenylsulfide tetrasul

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	1.2ml	100μg/ml in methylbenzene	120	RT	in stock	-
Kehua Intelligence	10mg	99%	216	RT	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 23 24 0 0 0 0 0 0 0999 V2000 -2.0032 -3.0994 0.6525 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3294 2.9568 -0.8475 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.5613 1.5701 1.0385 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.1315 1.4540 1.1953 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2957 -1.7273 -1.2733 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0939 -0.8297 -0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6653 -0.8264 -0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0605 -1.4254 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1973 0.5274 -0.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2594 1.2837 -0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1227 -0.6692 0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -0.7391 0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -0.2084 -1.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2222 0.6855 0.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8802 -0.0337 1.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6659 0.4969 -0.8647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8090 0.5842 0.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4581 1.0043 -1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8742 -1.1353 1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1008 -1.2177 1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4981 -0.2650 -2.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 0.0249 2.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3817 0.9736 -1.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 10 1 0 0 0 0 3 14 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 11 2 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 14 2 0 0 0 0 11 14 1 0 0 0 0 11 19 1 0 0 0 0 12 15 1 0 0 0 0 12 20 1 0 0 0 0 13 16 2 0 0 0 0 13 21 1 0 0 0 0 15 17 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1,2,4-trichloro-5-(4-chlorophenyl)sulfanylbenzene

4.2 InChI

InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H

4.3 InChIKey

QUWSDLYBOVGOCW-UHFFFAOYSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl

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)