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Methionol
CAS: 505-10-2 | C4H10OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
505-10-2
Molecular Formula:
C4H10OS
Molecular Mass:
106.19 g/mol
Names and Synonyms:
Methionol
1-Propanol, 3-(methylthio)-
3-(Methylthio)-1-propanol
γ-Methylmercaptopropyl alcohol
Methionol
3-Methylmercapto-1-propanol
3-Hydroxypropyl methyl sulfide
3-(Methylthio)propanol
4-Thiapentan-1-ol
3-(Methylsulfanyl)-1-propanol
NSC 2859
Identifiers:
SMILES:
CSCCCO
InChI:
InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
Key Properties
Boiling Point
102 °C @ Press: 14 Torr
CAS Common Chemistry
Density
1.03 g/cm³
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 | 106.19 g/mol | CAS Common Chemistry |
| 106.04523594 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.030 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methionol | CAS Common Chemistry |
| Boiling Point | 102 °C @ Press: 14 Torr | CAS Common Chemistry |
| Canonical SMILES | OCCCSC | CAS Common Chemistry |
| InChI | InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=CZUGFKJYCPYHHV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-(Methylthio)-1-propanol | CAS Common Chemistry |
| Methionol | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.7318 | RDKit |
| Molar Refractivity | 30.084799999999987 | RDKit |
