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Famso
CAS: 33577-16-1 | C3H8OS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33577-16-1
Molecular Formula:
C3H8OS2
Molecular Mass:
124.23 g/mol
Names and Synonyms:
Famso
Methane, (methylsulfinyl)(methylthio)-
Sulfide, methyl (methylsulfinyl)methyl
(Methylsulfinyl)(methylthio)methane
Methyl (methylthio)methyl sulfoxide
Formaldehyde methyl mercaptal S-oxide
Formaldehyde dimethyl mercaptal S-oxide
Methyl (methylsulfinyl)methyl sulfide
(Methylthio)dimethyl sulfoxide
FAMSO
Methyl methylmercaptomethyl sulfoxide
(±)-FAMSO
NSC 181492
(Methylsulfanyl)(methylsulfinyl)methane
Identifiers:
SMILES:
CSCS(C)=O
InChI:
InChI=1S/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3
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 | 124.23 g/mol | CAS Common Chemistry |
| 124.22999999999999 g/mol | RDKit | |
| 124.001656876 g/mol | RDKit | |
| Canonical SMILES | O=S(C)CSC | CAS Common Chemistry |
| InChI | InChI=1S/C3H8OS2/c1-5-3-6(2)4/h3H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OTKFCIVOVKCFHR-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | FAMSO | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 0.6854 | RDKit |
| Molar Refractivity | 32.44839999999999 | RDKit |
