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Substance Name: alpha-Terthienyl
RN: 1081-34-1
UNII: 0P77RAU2RR
InChIKey: KXSFECAJUBPPFE-UHFFFAOYSA-N

Molecular Formula

  • C12-H8-S3

Molecular Weight

  • 248.393
 

Classification Codes

  • Agricultural Chemical
  • Anti-Infective Agents
  • Antiviral Agents
  • Dermatologic Agents
  • Insecticide
  • Insecticides
  • Pesticides
  • Photosensitizing Agents
  • Radiation-Sensitizing Agents
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Names and Synonyms

Name of Substance

  • alpha-Terthienyl

Synonyms

  • 2,2',5',2''-Terthienyl
  • alpha-Terthienyl
  • alpha-Terthiophene
  • UNII-0P77RAU2RR

Systematic Name

  • 2,2':5',2''-Terthiophene

Registry Numbers

CAS Registry Number

  • 1081-34-1

FDA UNII

  • 0P77RAU2RR

System Generated Number

  • 0001081341

Structure Descriptors

InChI

1S/C12H8S3/c1-3-9(13-7-1)11-5-6-12(15-11)10-4-2-8-14-10/h1-8H

InChIKey

KXSFECAJUBPPFE-UHFFFAOYSA-N

Smiles

c1c(scc1)c1ccc(s1)c1cccs1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 110mg/kg (110mg/kg)   Pharmacology and Toxicology Vol. 77, Pg. 164, 1995.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 93-94 deg C   EXP
log P (octanol-water) 5.57 (none)   EXP
Water Solubility 0.423 mg/L 25 EST
Vapor Pressure 4.10E-07 mm Hg 25 EST
Henry's Law Constant 5.10E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.49E-11 cm3/molecule-sec 25 EST

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