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1,1′-(1,2-Ethanediyl) Bis(3-Mercaptopropanoate)
CAS: 22504-50-3 | C8H14O4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22504-50-3
Molecular Formula:
C8H14O4S2
Molecular Mass:
238.33 g/mol
Names and Synonyms:
1,1′-(1,2-Ethanediyl) Bis(3-Mercaptopropanoate)
Propanoic acid, 3-mercapto-, 1,1′-(1,2-ethanediyl) ester
Propionic acid, 3-mercapto-, ethylene ester
Propanoic acid, 3-mercapto-, 1,2-ethanediyl ester
Ethylene glycol, bis(3-mercaptopropionate)
1,1′-(1,2-Ethanediyl) bis(3-mercaptopropanoate)
Ethylene glycol bis(β-mercaptopropionate)
Ethylene 3-mercaptopropionate
Ethylenebis(3-mercaptopropionate)
E 23 (crosslinking agent)
Ethylene glycol di(β-mercaptopropionate)
Ethylenebis(β-mercaptopropionate)
E 23
Ethylene glycol di(3-mercaptopropionate)
1,2-Ethylene glycol bis(3-mercaptopropionate)
Thiocure GDMP
GDMP
Glycol dimercaptopropionate
Ethane-1,2-diyl bis(3-sulfanylpropanoate)
Ethylene glycol bis(mercaptopropionate)
Glycol di-3-mercaptopropionate
Identifiers:
SMILES:
O=C(CCS)OCCOC(=O)CCS
InChI:
InChI=1S/C8H14O4S2/c9-7(1-5-13)11-3-4-12-8(10)2-6-14/h13-14H,1-6H2
Key Properties
Melting Point
148 °C
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 | 238.33 g/mol | CAS Common Chemistry |
| 238.32999999999996 g/mol | RDKit | |
| 238.033350928 g/mol | RDKit | |
| Canonical SMILES | O=C(OCCOC(=O)CCS)CCS | CAS Common Chemistry |
| InChI | InChI=1S/C8H14O4S2/c9-7(1-5-13)11-3-4-12-8(10)2-6-14/h13-14H,1-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HAQZWTGSNCDKTK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 148 °C | CAS Common Chemistry |
| Name | 1,1′-(1,2-Ethanediyl) bis(3-mercaptopropanoate) | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | 0.7125999999999999 | RDKit |
| Molar Refractivity | 58.85800000000003 | RDKit |
