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4-Fluorophenyl Methyl Sulfide
CAS: 371-15-3 | C7H7FS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
371-15-3
Molecular Formula:
C7H7FS
Molecular Mass:
142.20 g/mol
Names and Synonyms:
4-Fluorophenyl Methyl Sulfide
Benzene, 1-fluoro-4-(methylthio)-
Sulfide, p-fluorophenyl methyl
1-Fluoro-4-(methylthio)benzene
p-Fluorothioanisole
Methyl 4-fluorophenyl sulfide
p-Fluorophenyl methyl sulfide
4-Fluorophenyl methyl sulfide
4-Fluorothioanisole
Methyl p-fluorophenyl sulfide
4-Fluoro-1-methylsulfanylbenzene
4-Fluorophenyl methyl sulphide
1-Fluoro-4-(methylsulfanyl)benzene
1-(Methylthio)-4-fluorobenzene
1-Fluoro-4-methylsulfanylbenzene
Identifiers:
SMILES:
CSc1ccc(F)cc1
InChI:
InChI=1S/C7H7FS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3
Key Properties
Boiling Point
74 °C @ Press: 10 Torr
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 | 142.20 g/mol | CAS Common Chemistry |
| 142.198 g/mol | RDKit | |
| 142.025249444 g/mol | RDKit | |
| Boiling Point | 74 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | FC1=CC=C(SC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H7FS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XFUMHENRNCUHOH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4-Fluorophenyl methyl sulfide | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.547600000000001 | RDKit |
| Molar Refractivity | 38.18100000000002 | RDKit |
