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Substance Name: Propanedioic acid, 1,3-dithiolan-2-ylidene-, ethyl 1-methylethyl ester
RN: 50780-76-2
InChIKey: WVSMSSWOGGOGBB-UHFFFAOYSA-N

Molecular Formula

  • C11-H16-O4-S2

Molecular Weight

  • 276.3754
 
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Names and Synonyms

Synonym

  • Ethyl isopropyl 1,3-dithiolan-2-ylidenepropanedioate

Systematic Name

  • Propanedioic acid, 1,3-dithiolan-2-ylidene-, ethyl 1-methylethyl ester

Registry Numbers

CAS Registry Number

  • 50780-76-2

System Generated Number

  • 0050780762

Structure Descriptors

InChI

1S/C11H16O4S2/c1-4-14-9(12)8(10(13)15-7(2)3)11-16-5-6-17-11/h7H,4-6H2,1-3H3

InChIKey

WVSMSSWOGGOGBB-UHFFFAOYSA-N

Smiles

CCOC(=O)C(=C1SCCS1)C(=O)OC(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.9 (none)   EXP
Water Solubility 56.1 mg/L 25 EST
Vapor Pressure 2.41E-04 mm Hg 25 EST
Henry's Law Constant 1.82E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.34E-11 cm3/molecule-sec 25 EST

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