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Substance Name: 1,3-Dithiane
RN: 505-23-7
UNII: 63527N060G
InChIKey: WQADWIOXOXRPLN-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data

Molecular Formula

  • C4-H8-S2

Molecular Weight

  • 120.239
 
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Names and Synonyms

Name of Substance

  • 1,3-Dithiane

Synonyms

  • 1,3-Dithiacyclohexane
  • 1,3-Dithiane
  • AI3-62288
  • CCRIS 6777
  • Dithiane-1,3
  • Dithiane-1,3 [French]
  • EINECS 208-006-7
  • NSC 157830
  • UNII-63527N060G

Systematic Names

  • 1,3-Dithiane
  • m-Dithiane

Registry Numbers

CAS Registry Number

  • 505-23-7

FDA UNII

  • 63527N060G

System Generated Number

  • 0000505237

Structure Descriptors

InChI

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

InChIKey

WQADWIOXOXRPLN-UHFFFAOYSA-N

Smiles

C1CSCSC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1500mg/kg (1500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 19, Pg. 461, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 54 deg C   EXP
log P (octanol-water) 2.180 (none)   EST
Atmospheric OH Rate Constant 7.96E-11 cm3/molecule-sec 25 EST

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