Found 85 results

Search term: MF = 'C_{21}H_{22}O_{3}S'
ChemSpider 2D Image | Methyl 4-{[6-(benzyloxy)-1-hexyn-1-yl]sulfanyl}benzoate | C21H22O3S

Methyl 4-{[6-(benzyloxy)-1-hexyn-1-yl]sulfanyl}benzoate

  • Molecular FormulaC21H22O3S
  • Average mass354.463 Da
  • Monoisotopic mass354.128967 Da
  • ChemSpider ID28553515

More details:

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

4-{[6-(Benzyloxy)-1-hexyn-1-yl]sulfanyl}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[6-(phenylmethoxy)-1-hexyn-1-yl]thio]-, methyl ester [ACD/Index Name]
Methyl 4-{[6-(benzyloxy)-1-hexyn-1-yl]sulfanyl}benzoate [ACD/IUPAC Name]
Methyl-4-{[6-(benzyloxy)-1-hexin-1-yl]sulfanyl}benzoat [German] [ACD/IUPAC Name]
648436-25-3 [RN]
BENZOIC ACID, 4-[[6-(PHENYLMETHOXY)-1-HEXYNYL]THIO]-, METHYL ESTER
METHYL 4-{[6-(BENZYLOXY)HEX-1-YN-1-YL]SULFANYL}BENZOATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 497.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 242.1±19.5 °C
Index of Refraction: 1.593
Molar Refractivity: 102.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 21215.58
ACD/KOC (pH 5.5): 43511.65
ACD/LogD (pH 7.4): 6.00
ACD/BCF (pH 7.4): 21215.58
ACD/KOC (pH 7.4): 43511.65
Polar Surface Area: 61 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 303.3±5.0 cm3

Click to predict properties on the Chemicalize site


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