MHT

(3S)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane

Created:2010-07-15
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count1
Bond Count26
Aromatic Bond Count0
2D diagram of MHT

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Chemical Component Summary

Name(3S)-3-(methylsulfanyl)-1-azabicyclo[2.2.2]octane
Systematic Name (OpenEye OEToolkits)(3S)-3-methylsulfanyl-1-azabicyclo[2.2.2]octane
FormulaC8 H15 N S
Molecular Weight157.276
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01S(C2C1CCN(CC1)C2)C
SMILESCACTVS3.385CS[CH]1CN2CCC1CC2
SMILESOpenEye OEToolkits1.7.6CSC1CN2CCC1CC2
Canonical SMILESCACTVS3.385 CS[C@@H]1CN2CCC1CC2
Canonical SMILESOpenEye OEToolkits1.7.6 CS[C@@H]1CN2CCC1CC2
InChIInChI1.03 InChI=1S/C8H15NS/c1-10-8-6-9-4-2-7(8)3-5-9/h7-8H,2-6H2,1H3/t8-/m1/s1
InChIKeyInChI1.03 VJFXSWNDOLSMOC-MRVPVSSYSA-N

Related Resource References

Resource NameReference
PubChem 131750098