Found 1 result

Search term: 23344271 (Found by CSID)
ChemSpider 2D Image | YS121 | C20H26ClN3O2S

YS121

  • Molecular FormulaC20H26ClN3O2S
  • Average mass407.957 Da
  • Monoisotopic mass407.143433 Da
  • ChemSpider ID23344271

More details:

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

2-({4-Chlor-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl}sulfanyl)octansäure [German] [ACD/IUPAC Name]
2-({4-Chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl}sulfanyl)octanoic acid [ACD/IUPAC Name]
916482-17-2 [RN]
Acide 2-({4-chloro-6-[(2,3-diméthylphényl)amino]-2-pyrimidinyl}sulfanyl)octanoïque [French] [ACD/IUPAC Name]
Octanoic acid, 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]- [ACD/Index Name]
YS121
YS-121
2-((4-CHLORO-6-((2,3-DIMETHYLPHENYL)AMINO)-2-PYRIMIDINYL)THIO)-OCTANOIC ACID
2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)octanoic acid
2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)octanoic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 557.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 290.9±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 111.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.93
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 489.46
ACD/KOC (pH 5.5): 560.69
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 35.10
ACD/KOC (pH 7.4): 40.20
Polar Surface Area: 100 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 325.2±5.0 cm3

Click to predict properties on the Chemicalize site


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