HV2
1,1-bis(oxidanylidene)thietan-3-ol
Created: | 2018-12-19 |
Last modified: | 2019-03-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 13 |
Chiral Atom Count | 0 |
Bond Count | 13 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 1,1-bis(oxidanylidene)thietan-3-ol |
Systematic Name (OpenEye OEToolkits) | 1,1-bis(oxidanylidene)thietan-3-ol |
Formula | C3 H6 O3 S |
Molecular Weight | 122.143 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | OC1C[S](=O)(=O)C1 |
SMILES | OpenEye OEToolkits | 2.0.6 | C1C(CS1(=O)=O)O |
Canonical SMILES | CACTVS | 3.385 | OC1C[S](=O)(=O)C1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | C1C(CS1(=O)=O)O |
InChI | InChI | 1.03 | InChI=1S/C3H6O3S/c4-3-1-7(5,6)2-3/h3-4H,1-2H2 |
InChIKey | InChI | 1.03 | CIUZABLJPXPIFC-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 265635 |
CCDC/CSD | HYTHIO |