1-ISOTHIOCYANATOHEXANE
FEATURES
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NAMES
  • 1-Isothiocyanato-Hexane
  • N-Hexyl Isothiocyanate
SMILES
CCCCCCN=C=S
InChI
InChI=1S/C7H13NS/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3
MOLECULAR FORMULA
C7H13NS
CROSS REFERENCES
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1-ISOTHIOCYANATOHEXANE
Compound Synopsis
OVERVIEW
PROPERTIES
Molecular weight143.08
AlogP2.67
HBond donors0
HBond acceptors1
Atoms22
Contains toxicophoreYes
Contains PAINSNo
Commercially availableYes
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 1-ISOTHIOCYANATOHEXANE.