ChemSpider 2D Image | (4R)-2-[2-(5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]-4-methyl-4,5-dihydro-1,3-oxazole | C12H11NOS6

(4R)-2-[2-(5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]-4-methyl-4,5-dihydro-1,3-oxazole

  • Molecular FormulaC12H11NOS6
  • Average mass377.612 Da
  • Monoisotopic mass376.916473 Da
  • ChemSpider ID21198687

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4R)-2-[2-(5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-yliden)-1,3-dithiol-4-yl]-4-methyl-4,5-dihydro-1,3-oxazol [German] [ACD/IUPAC Name]
(4R)-2-[2-(5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]-4-methyl-4,5-dihydro-1,3-oxazole [ACD/IUPAC Name]
(4R)-2-[2-(5,6-Dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidène)-1,3-dithiol-4-yl]-4-méthyl-4,5-dihydro-1,3-oxazole [French] [ACD/IUPAC Name]
Oxazole, 2-[2-(5,6-dihydro-1,3-dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiol-4-yl]-4,5-dihydro-4-methyl-, (4R)- [ACD/Index Name]
(R)-MeOXA-EDT-TTF

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 430.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 214.1±28.7 °C
Index of Refraction: 1.919
Molar Refractivity: 98.8±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1267.72
ACD/KOC (pH 5.5): 4969.25
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2152.44
ACD/KOC (pH 7.4): 8437.17
Polar Surface Area: 173 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 80.7±7.0 dyne/cm
Molar Volume: 209.2±7.0 cm3

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