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Substance Name: Thiophene, 3-methyl-
RN: 616-44-4
InChIKey: QENGPZGAWFQWCZ-UHFFFAOYSA-N

Molecular Formula

  • C5-H6-S

Molecular Weight

  • 98.1684
 
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Names and Synonyms

Synonyms

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

Systematic Names

  • 3-Methylthiophene
  • Thiophene, 3-methyl-

Registry Numbers

CAS Registry Number

  • 616-44-4

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.