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Substance Name: 1,3,5-Trithiacyclohexane
RN: 291-21-4
InChIKey: LORRLQMLLQLPSJ-UHFFFAOYSA-N

Note

  • From Parkia speciosa seeds.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C3-H6-S3

Molecular Weight

  • 138.278
 
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Names and Synonyms

Name of Substance

  • 1,3,5-Trithiacyclohexane
  • 1,3,5-Trithiane

Synonyms

  • 1,3,5-Trithiacyclohexane
  • 1,3,5-Trithiane
  • 5-19-09-00105 (Beilstein Handbook Reference)
  • AI3-09774
  • BRN 0079834
  • EINECS 206-029-7
  • Formaldehyde, thio-, trimer
  • NSC 1937
  • sym-Trithian
  • sym-Trithian [Czech]
  • Thioform
  • Thioform [Czech]
  • Trimethylene trisulfide
  • Trimethylentrisulfid
  • Trimethylentrisulfid [Czech]
  • Trithioformaldehyde

Systematic Names

  • 1,3,5-Trithiane
  • s-Trithiane

Registry Numbers

CAS Registry Number

  • 291-21-4

System Generated Number

  • 0000291214

Structure Descriptors

InChI

1S/C3H6S3/c1-4-2-6-3-5-1/h1-3H2

InChIKey

LORRLQMLLQLPSJ-UHFFFAOYSA-N

Smiles

C1SCSCS1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   National Technical Information Service. Vol. AD691-490,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 220 deg C   EXP
log P (octanol-water) 2.870 (none)   EST
Atmospheric OH Rate Constant 1.76E-10 cm3/molecule-sec 25 EST

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