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Substance Name: 1,4-Dithiane
RN: 505-29-3
UNII: 3274B1T5A0
InChIKey: LOZWAPSEEHRYPG-UHFFFAOYSA-N

Note

  • Organo-sulfur chemical associated with production & storage of munitions; may be a ground water contaminant.

Molecular Formula

  • C4-H8-S2

Molecular Weight

  • 120.239
 

Classification Code

  • Mutation Data
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Names and Synonyms

Name of Substance

  • 1,4-Dithiane

Synonyms

  • 1,4-Dithiacyclohexane
  • 1,4-Dithiane
  • 1,4-Dithiin, tetrahydro-
  • CCRIS 3240
  • Diethylene disulfide
  • EINECS 208-007-2
  • HSDB 7426
  • NSC 24178
  • p-Dithiin, tetrahydro-
  • UNII-3274B1T5A0

Systematic Names

  • 1,4-Dithiane
  • p-Dithane
  • p-Dithiane

Superlist Name

  • 1,4-Dithiane

Registry Numbers

CAS Registry Number

  • 505-29-3

FDA UNII

  • 3274B1T5A0

System Generated Number

  • 0000505293

Structure Descriptors

InChI

InChI=1S/C4H8S2/c1-2-6-4-3-5-1/h1-4H2

InChIKey

LOZWAPSEEHRYPG-UHFFFAOYSA-N

Smiles

C1CSCCS1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 2768mg/kg (2768mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. AD-A172-647,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 112.3 deg C   EXP
Boiling Point 199.5 deg C   EXP
log P (octanol-water) 1.380 (none)   EST
Water Solubility 6580 mg/L 25 EST
Vapor Pressure 1.570 mm Hg 25 EST
Henry's Law Constant 4.91E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.92E-11 cm3/molecule-sec 25 EST

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