ChemSpider 2D Image | (4S,5R)-5-Hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione | C14H16N2O2S

(4S,5R)-5-Hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione

  • Molecular FormulaC14H16N2O2S
  • Average mass276.354 Da
  • Monoisotopic mass276.093262 Da
  • ChemSpider ID25058160
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(4S,5R)-5-Hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydro-2(1H)-chinazolinthion [German] [ACD/IUPAC Name]
(4S,5R)-5-Hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione [ACD/IUPAC Name]
(4S,5R)-5-Hydroxy-4-(3-hydroxyphényl)-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione [French] [ACD/IUPAC Name]
(4S,5R)-5-hydroxy-4-(3-hydroxyphenyl)-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione
2(1H)-Quinazolinethione, 3,4,5,6,7,8-hexahydro-5-hydroxy-4-(3-hydroxyphenyl)-, (4S,5R)- [ACD/Index Name]
K5E

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 502.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 257.9±32.9 °C
Index of Refraction: 1.724
Molar Refractivity: 76.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 10.21
ACD/KOC (pH 5.5): 183.59
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.16
ACD/KOC (pH 7.4): 182.77
Polar Surface Area: 97 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 79.4±5.0 dyne/cm
Molar Volume: 193.2±5.0 cm3

Click to predict properties on the Chemicalize site






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