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Substance Name: Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, 5-oxide
RN: 52303-69-2
InChIKey: ZFQQZUBSEINSSR-UHFFFAOYSA-N

Molecular Formula

  • C12-H18-O5-S2

Molecular Weight

  • 306.401
 
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Names and Synonyms

Synonym

  • Bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate 5-oxide

Systematic Name

  • Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, 5-oxide

Registry Numbers

CAS Registry Number

  • 52303-69-2

System Generated Number

  • 0052303692

Structure Descriptors

InChI

1S/C12H18O5S2/c1-7(2)16-10(13)9(11(14)17-8(3)4)12-18-5-6-19(12)15/h7-8H,5-6H2,1-4H3

InChIKey

ZFQQZUBSEINSSR-UHFFFAOYSA-N

Smiles

S1CC[S@@](=O)\C1=C(\C(=O)OC(C)C)C(=O)OC(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.6 (none)   EXP
Water Solubility 485 mg/L 25 EST
Vapor Pressure 1.11E-05 mm Hg 25 EST
Henry's Law Constant 1.53E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.35E-11 cm3/molecule-sec 25 EST

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