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1,1′-Sulfinylbis[4-Chlorobenzene]
CAS: 3085-42-5 | C12H8Cl2OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3085-42-5
Molecular Formula:
C12H8Cl2OS
Molecular Mass:
271.17 g/mol
Names and Synonyms:
1,1′-Sulfinylbis[4-Chlorobenzene]
Benzene, 1,1′-sulfinylbis[4-chloro-
Sulfoxide, bis(p-chlorophenyl)
1,1′-Sulfinylbis[4-chlorobenzene]
4,4′-Dichlorodiphenyl sulfoxide
Bis(p-chlorophenyl) sulfoxide
p-Chlorophenyl sulfoxide
p,p′-Dichlorodiphenyl sulfoxide
Di-p-chlorophenyl sulfoxide
Bis(4-chlorophenyl) sulfoxide
4-Chlorophenyl sulfoxide
NSC 406205
1-Chloro-4-(4-chlorophenyl)sulfinylbenzene
Identifiers:
SMILES:
O=S(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChI:
InChI=1S/C12H8Cl2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H
Key Properties
Melting Point
143 °C @ Solvent: Ligroine
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 271.17 g/mol | CAS Common Chemistry |
| 271.168 g/mol | RDKit | |
| 269.967291236 g/mol | RDKit | |
| Canonical SMILES | O=S(C1=CC=C(Cl)C=C1)C2=CC=C(Cl)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H8Cl2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=KJGYFISADIZFEL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 143 °C @ Solvent: Ligroine | CAS Common Chemistry |
| Name | 1,1′-Sulfinylbis[4-chlorobenzene] | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 4.160100000000002 | RDKit |
| Molar Refractivity | 67.57840000000003 | RDKit |
