Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Thiophene
RN: 110-02-1
UNII: SMB37IQ40B
InChIKey: YTPLMLYBLZKORZ-UHFFFAOYSA-N

Molecular Formula

  • C4-H4-S

Molecular Weight

  • 84.1416
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Thiophene

Synonyms

  • 5-17-01-00297 (Beilstein Handbook Reference)
  • AI3-15417
  • BRN 0103222
  • CCRIS 2935
  • CP 34
  • Divinylene sulfide
  • EC 203-729-4
  • EINECS 203-729-4
  • Furan, thio-
  • HSDB 130
  • Huile H50
  • Huile HSO
  • NSC 405073
  • Thiacyclopentadiene
  • Thiaphene
  • Thiofen
  • Thiofen [Czech]
  • Thiofuram
  • Thiofuran
  • Thiofurfuran
  • Thiole
  • Thiophen
  • Thiophene
  • Thiotetrole
  • UNII-SMB37IQ40B
  • USAF EK-1860

Systematic Name

  • Thiophene

Superlist Names

  • Thiophene
  • Thiophene [UN2414] [Flammable liquid]
  • UN2414

Registry Numbers

CAS Registry Number

  • 110-02-1

FDA UNII

  • SMB37IQ40B

Other Registry Number

  • 8014-23-1

System Generated Number

  • 0000110021

Structure Descriptors

InChI

1S/C4H4S/c1-2-4-5-3-1/h1-4H

InChIKey

YTPLMLYBLZKORZ-UHFFFAOYSA-N

Smiles

c1ccsc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 skin > 20mL/kg (20mL/kg)   National Technical Information Service. Vol. OTS0555960,
mouse LC50 inhalation 9500mg/m3/2H (9500mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(2), Pg. 57, 1966.
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 oral 420mg/kg (420mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(2), Pg. 57, 1966.
rabbit LD50 subcutaneous 830mg/kg (830mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1089, 1986.
rat LCLo inhalation 2000ppm/6H (2000ppm)   Toxicologist. Vol. 8, Pg. 141, 1988.
rat LD50 oral 1400mg/kg (1400mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(2), Pg. 57, 1966.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.94E+01 deg C   EXP
Boiling Point 84 deg C   EXP
log P (octanol-water) 1.81 (none)   EXP
Water Solubility 3010 mg/L 25 EXP
Vapor Pressure 79.7 mm Hg 25 EXP
Henry's Law Constant 2.92E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.53E-12 cm3/molecule-sec 25 EXP

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