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Substance Name: Propylene sulfide
RN: 1072-43-1
InChIKey: MBNVSWHUJDDZRH-UHFFFAOYSA-N

Note

  • A major constituent of garlic.

Molecular Formula

  • C3-H6-S

Molecular Weight

  • 74.1464
 
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Names and Synonyms

Name of Substance

  • Propylene sulfide

Synonyms

  • 1,2-Epithiopropane
  • 2-Methylthiacyclopropane
  • 2-Methylthiirane
  • 5-17-01-00025 (Beilstein Handbook Reference)
  • BRN 0383559
  • CCRIS 804
  • EINECS 214-007-3
  • NSC 36643
  • NSC 48100
  • Propene sulfide
  • Propylene episulfide
  • Propylene sulfide
  • Propylene sulphide
  • Thiirane, 2-methyl-

Systematic Names

  • 1,2-Epithiopropane
  • Propane, 1,2-epithio-
  • Propylene sulfide
  • Thiirane, 2-methyl-
  • Thiirane, methyl-

Superlist Name

  • Propylene sulfide

Registry Numbers

CAS Registry Number

  • 1072-43-1

Other Registry Number

  • 15423-00-4

System Generated Number

  • 0001072431

Structure Descriptors

InChI

1S/C3H6S/c1-3-2-4-3/h3H,2H2,1H3

InChIKey

MBNVSWHUJDDZRH-UHFFFAOYSA-N

Smiles

C1[C@@H](S1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Radiation Research. Vol. 7, Pg. 13, 1957.
rat LC50 inhalation 660ppm/6H (660ppm) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

BLOOD: HEMORRHAGE

LUNGS, THORAX, OR RESPIRATION: "FIBROSIS, FOCAL (PNEUMOCONIOSIS)"
Bulletin of Environmental Contamination and Toxicology. Vol. 6, Pg. 509, 1971.
rat LD50 intraperitoneal 44mg/kg (44mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE)

BEHAVIORAL: ATAXIA
American Industrial Hygiene Association Journal. Vol. 25, Pg. 560, 1964.
rat LD50 oral 254mg/kg (254mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI
American Industrial Hygiene Association Journal. Vol. 25, Pg. 560, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.10E+01 deg C   EXP
Boiling Point 72.5 deg C   EXP
log P (octanol-water) 1.220 (none)   EST
Atmospheric OH Rate Constant 2.42E-12 cm3/molecule-sec 25 EST

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