Glyceryl monothioglycolate
Chemical Information
Glyceryl monothioglycolate is a thioglycolate ester resulting from esterification of thioglycolic acid with glycerol. As a component of developer solutions in permanent wave products, it is the second most frequent allergen in hairdressers and avoidance of acid permanent waves is mandatory. It has a role as an allergen.
| CAS Number | 30618-84-9 |
| PubChem CID | 3034372 |
| IUPAC Name | 2,3-dihydroxypropyl 2-sulfanylacetate |
| Molecular Formula | C5H10O4S |
| Molecular Weight | 166.20 |
| XLogP | -0.7 |
| Topological Polar Surface Area | 67.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 106 |
| Property | Value |
|---|---|
| Molecular Weight | 166.20 |
| XLogP3 | -0.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 166.02997997 |
| Monoisotopic Mass | 166.02997997 |
| Topological Polar Surface Area | 67.8 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 106 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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