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Substance Name: 1-Tridecanethiol
RN: 19484-26-5
UNII: YW32XX0340
InChIKey: IPBROXKVGHZHJV-UHFFFAOYSA-N

Molecular Formula

  • C13-H28-S

Molecular Weight

  • 216.43
 
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Names and Synonyms

Name of Substance

  • 1-Tridecanethiol

Synonyms

  • EINECS 243-104-3
  • NSC 851
  • Tridecyl mercaptan
  • UNII-YW32XX0340

Systematic Name

  • 1-Tridecanethiol

Registry Numbers

CAS Registry Number

  • 19484-26-5

FDA UNII

  • YW32XX0340

System Generated Number

  • 0019484265

Structure Descriptors

InChI

InChI=1S/C13H28S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3

InChIKey

IPBROXKVGHZHJV-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCS

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point < 25 deg C   EXP
Boiling Point 290.8 deg C   EXP
log P (octanol-water) 6.670 (none)   EST
Water Solubility 0.073 mg/L 25 EST
Henry's Law Constant 0.078 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.69E-11 cm3/molecule-sec 25 EST

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