Found 154 results

Search term: MF = 'C_{9}H_{7}N_{3}OS_{2}'
ChemSpider 2D Image | [(3-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile | C9H7N3OS2

[(3-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile

  • Molecular FormulaC9H7N3OS2
  • Average mass237.301 Da
  • Monoisotopic mass237.003052 Da
  • ChemSpider ID22275300

More details:

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

[(3-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitril [German] [ACD/IUPAC Name]
[(3-Methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetonitrile [ACD/IUPAC Name]
[(3-Méthyl-4-oxo-3,4-dihydrothiéno[2,3-d]pyrimidin-2-yl)sulfanyl]acétonitrile [French] [ACD/IUPAC Name]
Acetonitrile, 2-[(3,4-dihydro-3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)thio]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 436.1±51.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.2±3.0 kJ/mol
Flash Point: 217.5±30.4 °C
Index of Refraction: 1.745
Molar Refractivity: 64.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.35
ACD/KOC (pH 5.5): 64.16
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.35
ACD/KOC (pH 7.4): 64.16
Polar Surface Area: 110 Å2
Polarizability: 25.4±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 158.2±7.0 cm3

Click to predict properties on the Chemicalize site


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