Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Naphthalenemethyl isothiocyanate
RN: 17112-82-2
InChIKey: JJMDUNWYBZCIKZ-UHFFFAOYSA-N

Molecular Weight

  • 199.276
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • 1-Naphthalenemethyl isothiocyanate

Registry Numbers

CAS Registry Number

  • 17112-82-2

System Generated Number

  • 0017112822

Structure Descriptors

InChI

1S/C12H9NS/c14-9-13-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2

InChIKey

JJMDUNWYBZCIKZ-UHFFFAOYSA-N

Smiles

C(=S)=NCc1c2c(cccc2)ccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.42 (none)   EXP
Water Solubility 7.410 mg/L 25 EST
Vapor Pressure 5.32E-05 mm Hg 25 EST
Henry's Law Constant 2.45E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.46E-11 cm3/molecule-sec 25 EST

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