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Molecule
Chloromethyl Methyl Sulfide
CAS: 2373-51-5 · C2H5ClS
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2373-51-5
- Molecular Formula
- C2H5ClS
- Molecular Mass
- 96.58 g/mol
Identifiers
CAS Registry Number
2373-51-5
SMILES
CSCCl
InChI Key
JWMLCCRPDOIBAV-UHFFFAOYSA-N
InChI
InChI=1S/C2H5ClS/c1-4-2-3/h2H2,1H3
Names and Synonyms
- Chloromethyl Methyl Sulfide Common Name
- Methane, chloro(methylthio)- Synonym
- Sulfide, chloromethyl methyl Synonym
- Chloro(methylthio)methane Synonym
- Monochlorodimethyl sulfide Synonym
- Chloromethyl methyl sulfide Synonym
- (Methylthio)methyl chloride Synonym
- α-Chlorodimethyl sulfide Synonym
- Chlorodimethyl thioether Synonym
- Chloromethyl methyl thioether Synonym
- Chlorodimethyl sulfide Synonym
- Methyl chloromethyl sulfide Synonym
- NSC 63205 Synonym
- Chloromethylsulfanylmethane Synonym
- (Chloromethyl)(methyl)sulfane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 96.58 g/mol | CAS Common Chemistry |
| 96.582 g/mol | RDKit | |
| 96.572 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chloromethyl_methyl_sulfide | CAS Common Chemistry |
| Boiling Point | 105 °C | CAS Common Chemistry |
| Canonical SMILES | ClCSC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5ClS/c1-4-2-3/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JWMLCCRPDOIBAV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chloromethyl methyl sulfide | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.5457 | RDKit |
| Molar Refractivity | 24.234999999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 95.98004884 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 96.58 g/mol. Edit any field — others recompute live.
