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2-Mercaptoethyl Sulfide
CAS: 3570-55-6 | C4H10S3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3570-55-6
Molecular Formula:
C4H10S3
Molecular Weight:
154.32500000000002 g/mol
Names and Synonyms:
2-Mercaptoethyl Sulfide
2-[(2-Sulfanylethyl)sulfanyl]ethane-1-thiol
2-(2-Sulfanylethylsulfanyl)ethanethiol
2T-S
IU 11B
2-[(2-Mercaptoethyl)thio]ethanethiol
DMDS
NSC 4766
Bis(2-sulfanylethyl) sulfide
2-Mercaptoethyl thioether
1,4,7-Trithiaheptane
1,5-Dimercapto-3-thiapentane
3-Thia-1,5-pentanedithiol
1-Mercapto-2-(mercaptoethylthio)ethane
2,2′-Thiodi(ethanethiol)
2,2′-Dimercaptodiethyl sulfide
2,2′-Dimercaptodiethyl thioether
Bis(2-mercaptoethyl) sulfide
2-Mercaptoethyl sulfide
TDT
2,2′-Thiobis[ethanethiol]
Ethanethiol, 2,2′-thiodi-
Ethanethiol, 2,2′-thiobis-
Identifiers:
SMILES:
SCCSCCS
InChI:
InChI=1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 154.33 g/mol | Legacy Database |
| density | 1.22 g/cm³ | Legacy Database | |
| cas-boiling-point | 135-136 °C @ Press: 10 Torr | Legacy Database | |
| cas-canonical-smile | SCCSCCS | Legacy Database | |
| cas-density | 1.2187 g/cm3 @ Temp: 25 °C | Legacy Database | |
| cas-inchi | InChI=1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2 | Legacy Database | |
| cas-inchi-key | InChIKey=KSJBMDCFYZKAFH-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -12.5 °C | Legacy Database | |
| cas-name | 2-Mercaptoethyl sulfide | Legacy Database | |
| LogP | 1.5791999999999997 | RDKit | |
| Molecular | Molecular Weight | 154.32500000000002 g/mol | RDKit |
| Exact | Exact Molecular Weight | 153.99446332 g/mol | RDKit |
| Heavy | Heavy Atom Count | 7 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit | |
| Rotatable | Rotatable Bonds | 4 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 45.03100000000003 | RDKit |
