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Search term: C\C(CS)=C/CO[P@](O)(=O)OP(O)(O)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | (2E)-3-Methyl-4-sulfanyl-2-buten-1-yl trihydrogen diphosphate | C5H12O7P2S

(2E)-3-Methyl-4-sulfanyl-2-buten-1-yl trihydrogen diphosphate

  • Molecular FormulaC5H12O7P2S
  • Average mass278.157 Da
  • Monoisotopic mass277.977905 Da
  • ChemSpider ID35033522

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-Methyl-4-sulfanyl-2-buten-1-yl trihydrogen diphosphate [ACD/IUPAC Name]
(2E)-3-Methyl-4-sulfanyl-2-buten-1-yltrihydrogendiphosphat [German] [ACD/IUPAC Name]
(2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate
Diphosphoric acid, mono[(2E)-4-mercapto-3-methyl-2-buten-1-yl] ester [ACD/Index Name]
Trihydrogénodiphosphate de (2E)-3-méthyl-4-sulfanyl-2-butén-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 496.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.7±6.0 kJ/mol
Flash Point: 254.1±31.5 °C
Index of Refraction: 1.550
Molar Refractivity: 54.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.01
ACD/LogD (pH 5.5): -6.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 172 Å2
Polarizability: 21.7±0.5 10-24cm3
Surface Tension: 71.3±3.0 dyne/cm
Molar Volume: 172.1±3.0 cm3

Click to predict properties on the Chemicalize site


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