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Substance Name: Cyclopentanethiol
RN: 1679-07-8
UNII: H279996YO9
InChIKey: WVDYBOADDMMFIY-UHFFFAOYSA-N

Molecular Formula

  • C5-H10-S

Molecular Weight

  • 102.2
 
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Names and Synonyms

Name of Substance

  • Cyclopentanethiol

Synonyms

  • 4-06-00-00015 (Beilstein Handbook Reference)
  • BRN 2343861
  • Cyclopentanethiol
  • Cyclopentyl mercaptan
  • Cyclopentylthiol
  • EINECS 216-841-3
  • FEMA No. 3262
  • Mercaptocyclopentane
  • UNII-H279996YO9

Systematic Name

  • Cyclopentanethiol

Superlist Name

  • Cyclopentanethiol

Registry Numbers

CAS Registry Number

  • 1679-07-8

FDA UNII

  • H279996YO9

System Generated Number

  • 0001679078

Structure Descriptors

InChI

InChI=1S/C5H10S/c6-5-3-1-2-4-5/h5-6H,1-4H2

InChIKey

WVDYBOADDMMFIY-UHFFFAOYSA-N

Smiles

SC1CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2680mg/kg (2680mg/kg)   Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 132.1 deg C   EXP
log P (octanol-water) 2.550 (none)   EST
Water Solubility 758 mg/L 25 EST
Henry's Law Constant 3.58E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.08E-11 cm3/molecule-sec 25 EST

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