YPN
2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL
Created: | 2015-03-02 |
Last modified: | 2015-05-13 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 19 |
Chiral Atom Count | 0 |
Bond Count | 19 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL |
Systematic Name (OpenEye OEToolkits) | 2-(5-chloranylpyridin-2-yl)sulfanylethanol |
Formula | C7 H8 Cl N O S |
Molecular Weight | 189.663 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | OCCSc1ccc(Cl)cn1 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1Cl)SCCO |
Canonical SMILES | CACTVS | 3.385 | OCCSc1ccc(Cl)cn1 |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(ncc1Cl)SCCO |
InChI | InChI | 1.03 | InChI=1S/C7H8ClNOS/c8-6-1-2-7(9-5-6)11-4-3-10/h1-2,5,10H,3-4H2 |
InChIKey | InChI | 1.03 | KLOJLJIHCJJDCT-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 2774937 |