Back to Search
Glycol Dimercaptoacetate
CAS: 123-81-9 | C6H10O4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
123-81-9
Molecular Formula:
C6H10O4S2
Molecular Mass:
210.28 g/mol
Names and Synonyms:
Glycol Dimercaptoacetate
Acetic acid, 2-mercapto-, 1,1′-(1,2-ethanediyl) ester
Acetic acid, mercapto-, ethylene ester
Acetic acid, mercapto-, 1,2-ethanediyl ester
Ethylene glycol, bis(mercaptoacetate)
Glycol dimercaptoacetate
Ethylene glycol bis(thioglycolate)
Ethylene mercaptoacetate
Ethylene glycol bis(thioglycolic ester)
Glycol bis(mercaptoacetate)
Ethylenebis(thioglycolate)
Ethylene bis(mercaptoacetate)
PETP
EGTG (polythiol)
EGTG
Glycol(bis thioglycolate)
NSC 30032
Ethylene glycol bis(2-mercaptoacetate)
Thiocure GDMA
2-[(2-Sulfanylacetyl)oxy]ethyl 2-sulfanylacetate
Identifiers:
SMILES:
O=C(CS)OCCOC(=O)CS
InChI:
InChI=1S/C6H10O4S2/c7-5(3-11)9-1-2-10-6(8)4-12/h11-12H,1-4H2
Key Properties
Boiling Point
129-130 °C @ Press: 5 Torr
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 | 210.28 g/mol | CAS Common Chemistry |
| 210.27599999999998 g/mol | RDKit | |
| 210.0020508 g/mol | RDKit | |
| Boiling Point | 129-130 °C @ Press: 5 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCOC(=O)CS)CS | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O4S2/c7-5(3-11)9-1-2-10-6(8)4-12/h11-12H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PSYGHMBJXWRQFD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Glycol dimercaptoacetate | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.6 Ų | RDKit |
| LogP | -0.06759999999999983 | RDKit |
| Molar Refractivity | 49.624000000000024 | RDKit |
