YBX
(ethylsulfanyl)acetic acid
| Created: | 2023-01-23 |
| Last modified: | 2024-10-16 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 15 |
| Chiral Atom Count | 0 |
| Bond Count | 14 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | (ethylsulfanyl)acetic acid |
| Systematic Name (OpenEye OEToolkits) | 2-ethylsulfanylethanoic acid |
| Formula | C4 H8 O2 S |
| Molecular Weight | 120.17 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CSCC |
| SMILES | CACTVS | 3.385 | CCSCC(O)=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCSCC(=O)O |
| Canonical SMILES | CACTVS | 3.385 | CCSCC(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CCSCC(=O)O |
| InChI | InChI | 1.06 | InChI=1S/C4H8O2S/c1-2-7-3-4(5)6/h2-3H2,1H3,(H,5,6) |
| InChIKey | InChI | 1.06 | VJIKFWJCVWFZIN-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 69387 |














