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Substance Name: Toluene-3,4-dithiol
RN: 496-74-2
UNII: U89B11P7SC
InChIKey: NIAAGQAEVGMHPM-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-S2

Molecular Weight

  • 156.272
 
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Names and Synonyms

Name of Substance

  • Dithiol
  • Toluene-3,4-dithiol

Synonyms

  • 1,2-Benzenedithiol, 4-methyl-
  • 1,2-Dimercapto-4-methylbenzene
  • 3,4-Dimercaptotoluene
  • 3,4-Dimercaptotoluol
  • 4-06-00-05890 (Beilstein Handbook Reference)
  • 4-Methyl-1,2-benzenedithiol
  • 4-Methyl-1,2-dimercaptobenzene
  • BRN 1635270
  • Dithiol
  • EINECS 207-828-3
  • NSC 5391
  • o-Toluenesulfonylamide
  • o-Toluensulfamid
  • o-Toluensulfamid [Czech]
  • UNII-U89B11P7SC
  • USAF B-59

Systematic Names

  • 1,2-Benzenedithiol, 4-methyl-
  • Toluene-3,4-dithiol

Registry Numbers

CAS Registry Number

  • 496-74-2

FDA UNII

  • U89B11P7SC

System Generated Number

  • 0000496742

Structure Descriptors

InChI

InChI=1S/C7H8S2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3

InChIKey

NIAAGQAEVGMHPM-UHFFFAOYSA-N

Smiles

Cc1ccc(S)c(S)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 29 deg C   EXP
log P (octanol-water) 3.930 (none)   EST
Atmospheric OH Rate Constant 1.61E-11 cm3/molecule-sec 25 EST

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