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Substance Name: Allyl sulfide
RN: 592-88-1
UNII: 60G7CF7CWZ
InChIKey: UBJVUCKUDDKUJF-UHFFFAOYSA-N

Note

  • Essence of garlic; inhibits CYP2E1.

Molecular Formula

  • C6-H10-S

Molecular Weight

  • 114.211
 

Classification Codes

  • Anticarcinogenic Agents
  • Antineoplastic Agents
  • Antioxidants
  • Cytochrome P-450 Enzyme Inhibitors
  • Enzyme Inhibitors
  • Mutation Data
  • Protective Agents
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Names and Synonyms

Name of Substance

  • Allyl sulfide

Synonyms

  • 2-Propenyl sulphide
  • 3,3-Thiobis(1-propene)
  • 4-01-00-02097 (Beilstein Handbook Reference)
  • AI3-18865
  • Allyl monosulfide
  • Allyl sulfide
  • BRN 1736016
  • CCRIS 3252
  • Diallyl monosulfide
  • Diallyl sulfide
  • Diallyl thioether
  • EINECS 209-775-1
  • FEMA No. 2042
  • HSDB 7333
  • NSC 20947
  • Oil garlic
  • Thioallyl ether
  • UNII-60G7CF7CWZ

Systematic Names

  • 1-Propene, 3,3'-thiobis-
  • Allyl sulfide
  • Diallyl sulfide
  • Diallyl sulphide

Superlist Name

  • Allyl sulfide

Registry Numbers

CAS Registry Number

  • 592-88-1

FDA UNII

  • 60G7CF7CWZ

Other Registry Number

  • 132879-26-6

System Generated Number

  • 0000592881

Structure Descriptors

InChI

1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2

InChIKey

UBJVUCKUDDKUJF-UHFFFAOYSA-N

Smiles

S(CC=C)CC=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 299, 1988.
rabbit LDLo intravenous 330mg/kg (330mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Biochemical Journal. Vol. 4, Pg. 107, 1909.
rat LD50 oral 2980mg/kg (2980mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 299, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.50E+01 deg C   EXP
Boiling Point 138.6 deg C   EXP
log P (octanol-water) 2.610 (none)   EST
Water Solubility 621 mg/L 25 EST
Vapor Pressure 9.22 mm Hg 25 EXP
Henry's Law Constant 1.35E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.89E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.