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Substance Name: Ethyl 2-(2-naphthalen-2-ylsulfanyl-4-oxoazetidin-1-yl)acetate
RN: 119005-30-0
InChIKey: DQUHKQLVSSQSHB-UHFFFAOYSA-N

Molecular Formula

  • C17-H17-N-O3-S

Molecular Weight

  • 315.391
 
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Names and Synonyms

  • Ethyl 2-(2-naphthalen-2-ylsulfanyl-4-oxoazetidin-1-yl)acetate

Registry Numbers

CAS Registry Number

  • 119005-30-0

System Generated Number

  • 0119005300

Structure Descriptors

InChI

1S/C17H17NO3S/c1-2-21-17(20)11-18-15(19)10-16(18)22-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,16H,2,10-11H2,1H3

InChIKey

DQUHKQLVSSQSHB-UHFFFAOYSA-N

Smiles

CCOC(=O)CN1C(=O)C[C@@H]1Sc1cc2ccccc2cc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.4 (none)   EXP
Water Solubility 12.5 mg/L 25 EST
Vapor Pressure 2.13E-09 mm Hg 25 EST
Henry's Law Constant 1.46E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.25E-10 cm3/molecule-sec 25 EST

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