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Reference substances

Reference substances

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General information

Inventory

EC number:
200-309-2
EC name:
Allyl isothiocyanate
CAS number:
57-06-7

No inventory information available

Reference substance information

IUPAC name:
3-isothiocyanatoprop-1-ene
Synonyms
Names:
1-Propene, 3-isothiocyanato-
3-isothiocyanatoprop-1-ene

CAS information

CAS number:
57-06-7

Molecular and structural information

Molecular formula:
C4H5NS
Molecular weight:
99.154
SMILES notation:
C=CCN=C=S
InChl:
InChI=1/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
Structural formula:
Chemical structure