YPN

2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL

Created: 2015-03-02
Last modified:  2015-05-13

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count19
Aromatic Bond Count6
2D diagram of YPN

Chemical Component Summary

Name2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL
Systematic Name (OpenEye OEToolkits)2-(5-chloranylpyridin-2-yl)sulfanylethanol
FormulaC7 H8 Cl N O S
Molecular Weight189.663
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385OCCSc1ccc(Cl)cn1
SMILESOpenEye OEToolkits1.7.6c1cc(ncc1Cl)SCCO
Canonical SMILESCACTVS3.385 OCCSc1ccc(Cl)cn1
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc(ncc1Cl)SCCO
InChIInChI1.03 InChI=1S/C7H8ClNOS/c8-6-1-2-7(9-5-6)11-4-3-10/h1-2,5,10H,3-4H2
InChIKeyInChI1.03 KLOJLJIHCJJDCT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2774937