Search Result : Detailed Informations

Low Mol Weight Allergen Name CAS# CID
Allyl Isothiocyanate 20978 5971
Structure Other Information
Canonical SMILES C=CCN=C=S
Iso SMILES C=CCN=C=S
InChI InChI=1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
InChI Key ZOJBYZNEUISWFT-UHFFFAOYSA-N
Formula C4H5NS
Mol Weight 99.1542
XlogP3 2.4
Charge 0

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Synonyms Information
CAS Name 3-isothiocyanato-1-propene
IUPAC Name 3-isothiocyanatoprop-1-ene
Openeye Name 3-isothiocyanatoprop-1-ene
Systematic Name 3-isothiocyanatoprop-1-ene
Tratitional Name 3-isothiocyanatoprop-1-ene