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Substance Name: 2-Octanethiol
RN: 3001-66-9
InChIKey: BZXFEMZFRLXGCY-UHFFFAOYSA-N

Molecular Formula

  • C8-H18-S

Molecular Weight

  • 146.296
 
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Names and Synonyms

Synonyms

  • EINECS 221-086-8
  • NSC 522669

Systematic Name

  • 2-Octanethiol

Registry Numbers

CAS Registry Number

  • 3001-66-9

Other Registry Number

  • 10435-81-1

System Generated Number

  • 0003001669

Structure Descriptors

InChI

1S/C8H18S/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3

InChIKey

BZXFEMZFRLXGCY-UHFFFAOYSA-N

Smiles

C(C[C@@H](C)S)CCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.140 (none)   EST
Water Solubility 22.9 mg/L 25 EST
Henry's Law Constant 0.019 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.82E-11 cm3/molecule-sec 25 EST

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