MCR
SULFANYLACETIC ACID
| Created: | 2003-02-12 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 9 |
| Chiral Atom Count | 0 |
| Bond Count | 8 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | SULFANYLACETIC ACID |
| Synonyms | MERCAPTOACETIC ACID |
| Systematic Name (OpenEye OEToolkits) | 2-sulfanylethanoic acid |
| Formula | C2 H4 O2 S |
| Molecular Weight | 92.117 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CS |
| SMILES | CACTVS | 3.341 | OC(=O)CS |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)S |
| Canonical SMILES | CACTVS | 3.341 | OC(=O)CS |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)S |
| InChI | InChI | 1.03 | InChI=1S/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4) |
| InChIKey | InChI | 1.03 | CWERGRDVMFNCDR-UHFFFAOYSA-N |
Drug Info: DrugBank
| DrugBank ID | DB15429 |
|---|---|
| Name | Thioglycolic acid |
| Groups | investigational |
| Description | Thioglycolic acid is under investigation in clinical trial NCT03238105 (Treatment of Periorbicular Hyperchromia Comparing 10% Thioglycolic Acid Peeling Versus Pulsed Intense Light). |
| Synonyms | Thioglycolic acid |
| Categories |
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| CAS number | 68-11-1 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 1133, 129829565 |
| ChEMBL | CHEMBL116455 |
| ChEBI | CHEBI:30065 |
