ChemSpider 2D Image | [(4S)-4-Methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]acetic acid | C10H12O3S

[(4S)-4-Methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]acetic acid

  • Molecular FormulaC10H12O3S
  • Average mass212.266 Da
  • Monoisotopic mass212.050720 Da
  • ChemSpider ID34499129

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(4S)-4-Methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]acetic acid [ACD/IUPAC Name]
[(4S)-4-Methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]essigsäure [German] [ACD/IUPAC Name]
4H-Thieno[3,2-c]pyran-4-acetic acid, 6,7-dihydro-4-methyl-, (4S)- [ACD/Index Name]
Acide [(4S)-4-méthyl-6,7-dihydro-4H-thiéno[3,2-c]pyran-4-yl]acétique [French] [ACD/IUPAC Name]
(4-Methyl-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)acetic acid [ACD/IUPAC Name]
2-[(4S)-4-methyl-4H,6H,7H-thieno[3,2-c]pyran-4-yl]acetic acid
57153-43-2 [RN]
MFCD01850960 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 383.1±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 185.5±25.1 °C
Index of Refraction: 1.557
Molar Refractivity: 53.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.85
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 167.4±3.0 cm3

Click to predict properties on the Chemicalize site


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