266

2-(propylsulfanyl)ethanol

Created: 2007-10-02
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count19
Chiral Atom Count0
Bond Count18
Aromatic Bond Count0
2D diagram of 266

Chemical Component Summary

Name2-(propylsulfanyl)ethanol
Systematic Name (OpenEye OEToolkits)2-propylsulfanylethanol
FormulaC5 H12 O S
Molecular Weight120.213
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04OCCSCCC
SMILESCACTVS3.341CCCSCCO
SMILESOpenEye OEToolkits1.5.0CCCSCCO
Canonical SMILESCACTVS3.341 CCCSCCO
Canonical SMILESOpenEye OEToolkits1.5.0 CCCSCCO
InChIInChI1.03 InChI=1S/C5H12OS/c1-2-4-7-5-3-6/h6H,2-5H2,1H3
InChIKeyInChI1.03 KCWWXXYQPUDKBX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 89850