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Molecule
2-Mercaptoethyl Sulfide
CAS: 3570-55-6 · C4H10S3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3570-55-6
- Molecular Formula
- C4H10S3
- Molecular Mass
- 154.33 g/mol
Identifiers
CAS Registry Number
3570-55-6
SMILES
SCCSCCS
InChI Key
KSJBMDCFYZKAFH-UHFFFAOYSA-N
InChI
InChI=1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2
Names and Synonyms
- 2-Mercaptoethyl Sulfide Systematic Name
- Ethanethiol, 2,2′-thiobis- Synonym
- Ethanethiol, 2,2′-thiodi- Synonym
- 2,2′-Thiobis[ethanethiol] Synonym
- TDT Synonym
- 2-Mercaptoethyl sulfide Synonym
- Bis(2-mercaptoethyl) sulfide Synonym
- 2,2′-Dimercaptodiethyl thioether Synonym
- 2,2′-Dimercaptodiethyl sulfide Synonym
- 2,2′-Thiodi(ethanethiol) Synonym
- 1-Mercapto-2-(mercaptoethylthio)ethane Synonym
- 3-Thia-1,5-pentanedithiol Synonym
- 1,5-Dimercapto-3-thiapentane Synonym
- 1,4,7-Trithiaheptane Synonym
- 2-Mercaptoethyl thioether Synonym
- Bis(2-sulfanylethyl) sulfide Synonym
- NSC 4766 Synonym
- DMDS Synonym
- 2-[(2-Mercaptoethyl)thio]ethanethiol Synonym
- IU 11B Synonym
- 2T-S Synonym
- 2-(2-Sulfanylethylsulfanyl)ethanethiol Synonym
- 2-[(2-Sulfanylethyl)sulfanyl]ethane-1-thiol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 154.33 g/mol | CAS Common Chemistry |
| 154.32500000000002 g/mol | RDKit | |
| 154.325 g/mol | RDKit | |
| 154.304 g/mol | chempirical lib | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.2187 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | SCCSCCS | CAS Common Chemistry |
| InChI | InChI=1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KSJBMDCFYZKAFH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -12.5 °C | CAS Common Chemistry |
| Name | 2-Mercaptoethyl sulfide | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.5791999999999997 | RDKit |
| 1.5792 | RDKit | |
| Molar Refractivity | 45.03100000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 153.99446332 g/mol | RDKit |
| Boiling Point | 135-136 °C @ 10 Torr | CAS Common Chemistry |
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 = 154.33 g/mol; density = 1.220 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H10S3.
