Allyl thiocyanate

  • Identifiers

    CAS number
    764-49-8

    Molecular formula
    C4H5NS

    SMILES
    C=CCSC#N
    SN

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    sulfurous 74.83%
    onion 72.18%
    garlic 69.73%
    alliaceous 53.87%
    pungent 49.48%
    roasted 40.19%
    meaty 39.09%
    cooked 37.24%
    savory 37.09%
    radish 35.93%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6 Well soluble in IAA, DEP, MMB

    Molecular weight
    99.16 g/mol

    Vapor pressure est.

    • 2.2566 hPa @ 20°C
    • 3.1085 hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    169°C

  • Synonyms

    • Allyl thiocyanate
    • 764-49-8
    • Allylrhodanid
    • Allylthiocyanate
    • Thiocyanic acid, 2-propenyl ester
    • Thiocyanic acid, allyl ester
    • prop-2-enyl thiocyanate
    • (prop-2-en-1-ylsulfanyl)carbonitrile
    • 3-Thiocyanato-1-propene
    • Allylrhodanid [German]
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Horseradish Armoracia lapathifolia Gilib., fam. Brassicaceae (Cruciferae) 2.1%