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Substance Name: 1,4-thioxane
RN: 15980-15-1
InChIKey: JBYHSSAVUBIJMK-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C4-H8-O-S

Molecular Weight

  • 104.172
 
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Names and Synonyms

Name of Substance

  • 1,4-Thioxane

Synonyms

  • 1,4-Oxathiin, 2,3,5,6-tetrahydro-
  • 1,4-Thioxane
  • 1-Oxa-4-thiacyclohexane
  • CCRIS 1746
  • EINECS 240-117-6
  • NSC 49179
  • Oxathiane
  • p-Thioxane

Systematic Names

  • 1,4-Oxathiane
  • 1,4-Thioxane

Superlist Names

  • 1,4-Oxathiane
  • 1,4-Thioxane

Registry Numbers

CAS Registry Number

  • 15980-15-1

System Generated Number

  • 0015980151

Structure Descriptors

InChI

1S/C4H8OS/c1-3-6-4-2-5-1/h1-4H2

InChIKey

JBYHSSAVUBIJMK-UHFFFAOYSA-N

Smiles

C1CSCCO1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LCLo inhalation 4000ppm/4H (4000ppm)   Journal of Industrial Hygiene and Toxicology. Vol. 31, Pg. 343, 1949.
rat LD50 oral 2830mg/kg (2830mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 147 deg C   EXP
log P (octanol-water) 0.530 (none)   EST
Atmospheric OH Rate Constant 6.67E-11 cm3/molecule-sec 25 EST

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