CAS number
57-06-7

Molecular formula
C4H5NS

SMILES
C=CCN=C=S

Retention indicies (RI)

• DB5: 890.0
• Carbowax: 1352.0

pungent	90.13%
radish	78.84%
sulfurous	56.16%
garlic	53.55%
alliaceous	49.67%
onion	41.35%
green	37.05%
cabbage	37.01%
vegetable	30.85%
metallic	25.06%

Scent© AI

XLogP3-AA
2.4 Well soluble in DEP, BB, MMB

Molecular weight
99.16 g/mol

Melting points

• -112 °F (NTP, 1992)
• -80 °C
• -102.5 °C

Boiling points

• 304 °F at 760 mmHg (NTP, 1992)
• 152 °C
• 150.00 to 152.00 °C. @ 760.00 mm Hg
• 148-154 °C

Flash points

• 115 °F (NTP, 1992)
• [ChemIDplus] 46 °C
• 115 °F (46 °C) (Closed Cup)
• 46 °C c.c.

Solubilities

• less than 0.1 mg/mL at 66 °F (NTP, 1992)
• In water, 2,000 mg/L at 20 °C
• Very soluble in benzene, ethyl ether, ethanol
• Miscible with alcohol and most organic solvents. One mL dissolves 8 mL 70% alcohol
• SOLUBILITY IN ALCOHOL: 1:8 IN 80% ETHANOL; COMPLETELY MISCIBLE WITH ETHER, CHLOROFORM, AND BENZENE
• Soluble in alcohol, ether, carbon disulfide
• 2 mg/mL at 20 °C
• Solubility in water: poor
• Slightly soluble in water; Soluble in ether
• Soluble (in ethanol)

• ALLYL ISOTHIOCYANATE
• 57-06-7
• 3-isothiocyanatoprop-1-ene
• AITC
• Redskin
• Allylsenevol
• Allylsenfoel
• Oleum sinapis
• ALLYLISOTHIOCYANATE
• Allylsevenolum
• Senfoel
• Allyl isosulfocyanate
• Allyspol
• Carbospol
• 1-Propene, 3-isothiocyanato-
• 3-Isothiocyanato-1-propene
• Senf oel
• 2-Propenyl isothiocyanate
• Oleum sinapis volatile
• Isothiocyanate d'allyle
• Allyl sevenolum
• Allyspol 75EC
• Allyl thioisocyanate
• Isothiocyanic acid allyl ester
• Allyl isosulphocyanate
• FEMA No. 2034
• Isothiocyansaeureallylester
• Senf oel [German]
• Allylsenfoel [German]
• Caswell No. 027
• NCI-C50464
• Isothiocyanic acid, allyl ester
• Allylisothiokyanat [Czech]
• Allyl isothiocyanate [USAN]
• Allyl isothiocyanate (natural)
• Allyl isothiocyanate, stabilized
• Isothiocyanate d'allyle [French]
• NSC 5572
• NSC-5572
• Propene, 3-isothiocyanato-
• UN1545
• 3-iso-Thiocyanatoprop-1-ene
• Allyl isothiocyanate, non-perfume grade
• BN34FX42G3
• DTXSID3020047
• CHEBI:73224
• Allyl isothiocyanate (USP)
• DTXCID8047
• CHEMBL233248
• Fats and Glyceridicoils, mustard
• ALLYL ISOTHIOCYANATE [MI]
• NSC5572
• ALLYL ISOTHIOCYANATE [FCC]
• ALLYL ISOTHIOCYANATE [FHFI]
• ALLYL ISOTHIOCYANATE [HSDB]
• ALLYL ISOTHIOCYANATE [IARC]
• ALLYL ISOTHIOCYANATE [MART.]
• ALLYL ISOTHIOCYANATE [WHO-DD]
• ISOTHIOCYANIC ACID,ALLYL ESTER
• NCGC00091743-01
• ALLYL ISOTHIOCYANATE [USP MONOGRAPH]
• SENF OEL (GERMAN)
• ALLYLSENFOEL (GERMAN)
• ALLYL ISOTHIOCYANATE (IARC)
• FEMA Number 2034
• ALLYL ISOTHIOCYANATE (MART.)
• Allylisothiokyanat
• allyl isorhodanide
• CAS-57-06-7
• CCRIS 20
• ISOTHIOCYANATE D'ALLYLE (FRENCH)
• ALLYL ISOTHIOCYANATE, (STABILIZED)
• ALLYL ISOTHIOCYANATE, [STABILIZED]
• allyl thiocarbonimide
• ALLYL ISOTHIOCYANATE (USP MONOGRAPH)
• FEMA No. 2760
• HSDB 617
• Mustard, brown (Brassica spp.)
• 3-isothiocyanatopropene
• Mustard, yellow (Brassica spp.)
• EINECS 200-309-2
• EINECS 232-358-0
• MFCD00004822
• EPA Pesticide Chemical Code 004901
• BRN 0773748
• UNII-BN34FX42G3
• Allyl senevolum
• AI3-15283
• Allyl isothiocyanate [USAN:USP]
• mustard seed oleoresin
• 3Isothiocyanato1propene
• 2Propenyl isothiocyanate
• Allyl isothiocyanic acid
• 3-isothiocyanato-propene
• TYY1MA9BSY
• 1Propene, 3isothiocyanato
• MUSTARD OIL [FCC]
• Allyl isothiocyanate, 97%
• WLN: SCN2U1
• MUSTARD OIL [VANDF]
• 3-isothiocyanato-prop-1-ene
• Potassium allyl isothiocyanate
• GTPL2420
• DTXSID3044176
• GLXC-20576
• HMS3264D06
• Pharmakon1600-01506103
• Tox21_111165
• Tox21_202249
• Tox21_302890
• Allyl isothiocyanate, >=95%, FCC
• BDBM50203072
• MSK010007
• NSC760137
• STL194262
• Allyl isothiocyanate non-perfume grade
• Allyl isothiocyanate, nonperfume grade
• AKOS000119301
• CCG-213613
• NSC-760137
• USEPA/OPP Pesticide Code: 004901
• NCGC00091743-02
• NCGC00256536-01
• NCGC00259798-01
• BP-12926
• Allyl isothiocyanate, purum, >=98% (GC)
• DB-022435
• Potassium, (1-isothiocyanato-2-propenyl)-