Back to Search
1,1′-Sulfinylbis[4-Methylbenzene]
CAS: 1774-35-2 | C14H14OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1774-35-2
Molecular Formula:
C14H14OS
Molecular Mass:
230.33 g/mol
Names and Synonyms:
1,1′-Sulfinylbis[4-Methylbenzene]
Benzene, 1,1′-sulfinylbis[4-methyl-
p-Tolyl sulfoxide
1,1′-Sulfinylbis[4-methylbenzene]
4,4′-Ditolyl sulfoxide
Di-p-tolyl sulfoxide
Bis(4-methylphenyl) sulfoxide
4,4′-Dimethyldiphenyl sulfoxide
Di-4-tolyl sulfoxide
Bis(p-methylphenyl) sulfoxide
NSC 73128
4,4′-Sulfinylbis(methylbenzene)
1-Methyl-4-(4-methylphenyl)sulfinylbenzene
Identifiers:
SMILES:
Cc1ccc(S(=O)c2ccc(C)cc2)cc1
InChI:
InChI=1S/C14H14OS/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
Key Properties
Melting Point
93 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
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 |
|---|
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 | 230.33 g/mol | CAS Common Chemistry |
| 230.33200000000002 g/mol | RDKit | |
| 230.076536068 g/mol | RDKit | |
| Canonical SMILES | O=S(C1=CC=C(C=C1)C)C2=CC=C(C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H14OS/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14/h3-10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MJWNJEJCQHNDNM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93 °C | CAS Common Chemistry |
| Name | 1,1′-Sulfinylbis[4-methylbenzene] | 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 | 3.4701400000000024 | RDKit |
| Molar Refractivity | 67.03240000000004 | RDKit |
