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Substance Name: 2-Methylthiophene
RN: 554-14-3
UNII: 7115JAP77A
InChIKey: XQQBUAPQHNYYRS-UHFFFAOYSA-N

Molecular Formula

  • C5-H6-S

Molecular Weight

  • 98.1684
 
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Names and Synonyms

Name of Substance

  • 2-Methylthiophene

Synonyms

  • 2-Methylthiophene
  • 5-17-01-00324 (Beilstein Handbook Reference)
  • AI3-15911
  • alpha-Methylthiophene
  • BRN 0103734
  • CCRIS 2936
  • EINECS 209-063-0
  • UNII-7115JAP77A

Systematic Names

  • 2-Methylthiophene
  • Thiophene, 2-methyl-

Registry Numbers

CAS Registry Number

  • 554-14-3

FDA UNII

  • 7115JAP77A

System Generated Number

  • 0000554143

Structure Descriptors

InChI

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

InChIKey

XQQBUAPQHNYYRS-UHFFFAOYSA-N

Smiles

Cc1cccs1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 1260mg/kg (1260mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LC50 inhalation 11500mg/m3/2H (11500mg/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 1460mg/kg (1460mg/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.
rat LD50 intraperitoneal 1gm/kg (1000mg/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.
rat LD50 oral 3200mg/kg (3200mg/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 -6.34E+01 deg C   EXP
Boiling Point 112.6 deg C   EXP
log P (octanol-water) 2.33 (none)   EXP
Water Solubility 1210 mg/L 25 EST
Vapor Pressure 24.9 mm Hg 25 EXP
Henry's Law Constant 3.23E-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.