Found 1 result

Search term: TYNORQRGVYNOSO-SECBINFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[(2R)-3,3-Dimethyl-2-butanyl]-3-(4-pyridinyl)thiourea | C12H19N3S

1-[(2R)-3,3-Dimethyl-2-butanyl]-3-(4-pyridinyl)thiourea

  • Molecular FormulaC12H19N3S
  • Average mass237.364 Da
  • Monoisotopic mass237.129974 Da
  • ChemSpider ID28527396

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(2R)-3,3-Dimethyl-2-butanyl]-3-(4-pyridinyl)thioharnstoff [German] [ACD/IUPAC Name]
1-[(2R)-3,3-Dimethyl-2-butanyl]-3-(4-pyridinyl)thiourea [ACD/IUPAC Name]
1-[(2R)-3,3-Diméthyl-2-butanyl]-3-(4-pyridinyl)thiourée [French] [ACD/IUPAC Name]
Thiourea, N-4-pyridinyl-N'-[(1R)-1,2,2-trimethylpropyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 332.4±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.5±3.0 kJ/mol
Flash Point: 154.8±25.7 °C
Index of Refraction: 1.558
Molar Refractivity: 71.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.04
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.90
Polar Surface Area: 76 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 33.9±7.0 dyne/cm
Molar Volume: 222.0±7.0 cm3

Click to predict properties on the Chemicalize site


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