Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Thiotolene
RN: 616-44-4
UNII: FK9ID0X5QV
InChIKey: QENGPZGAWFQWCZ-UHFFFAOYSA-N

Molecular Formula

  • C5-H6-S

Molecular Weight

  • 98.1684
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 3-Thiotolene

Synonyms

  • 3-Methylthiophene
  • 3-Thiotolene
  • 5-17-01-00331 (Beilstein Handbook Reference)
  • beta-Methylthiophene
  • BRN 0001300
  • CCRIS 2937
  • EINECS 210-482-6
  • NSC 65439
  • UNII-FK9ID0X5QV

Systematic Names

  • 3-Methylthiophene
  • Thiophene, 3-methyl-

Registry Numbers

CAS Registry Number

  • 616-44-4

FDA UNII

  • FK9ID0X5QV

System Generated Number

  • 0000616444

Structure Descriptors

InChI

1S/C5H6S/c1-5-2-3-6-4-5/h2-4H,1H3

InChIKey

QENGPZGAWFQWCZ-UHFFFAOYSA-N

Smiles

c1(ccsc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 18gm/m3 (18000mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mammal (species unspecified) LD50 unreported 1600mg/kg (1600mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LC50 inhalation 18gm/m3/2H (18000mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 87, 1982.
mouse LD50 oral 1800mg/kg (1800mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 87, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.90E+01 deg C   EXP
Boiling Point 115.5 deg C   EXP
log P (octanol-water) 2.34 (none)   EXP
Water Solubility 400 mg/L 25 EXP
Vapor Pressure 22.2 mm Hg 25 EXP
Henry's Law Constant 7.15E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.50E-11 cm3/molecule-sec 25 EST

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