ChemSpider 2D Image | 3-[(2-Methylfuran-3-yl)thio]butyraldehyde | C9H12O2S

3-[(2-Methylfuran-3-yl)thio]butyraldehyde

  • Molecular FormulaC9H12O2S
  • Average mass184.255 Da
  • Monoisotopic mass184.055801 Da
  • ChemSpider ID32701742

More details:

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

11341969 [Beilstein]
3-[(2-Methyl-3-furyl)sulfanyl]butanal
3-[(2-Methyl-3-furyl)sulfanyl]butanal [German] [ACD/IUPAC Name]
3-[(2-Méthyl-3-furyl)sulfanyl]butanal [French] [ACD/IUPAC Name]
3-[(2-Methyl-3-furyl)thio]butanal
3-[(2-Methylfuran-3-yl)thio]butyraldehyde [ACD/IUPAC Name]
915971-43-6 [RN]
Butanal, 3-[(2-methyl-3-furanyl)thio]- [ACD/Index Name]
T5OJ B1 CSY1&1VH [WLN]
FEMA 4501
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

UNII:YW47186L5A [DBID]
YW47186L5A [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 255.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.3±3.0 kJ/mol
Flash Point: 108.1±25.9 °C
Index of Refraction: 1.523
Molar Refractivity: 50.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 38.13
ACD/KOC (pH 5.5): 471.53
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 38.13
ACD/KOC (pH 7.4): 471.53
Polar Surface Area: 56 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 39.7±5.0 dyne/cm
Molar Volume: 166.0±5.0 cm3

Click to predict properties on the Chemicalize site


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