Found 28 results

Search term: MF = 'C_{15}H_{15}NO_{2}S_{3}'
ChemSpider 2D Image | {2-[(2,3-Dihydro-1-benzothiophen-2-ylmethyl)sulfanyl]-4-methyl-1,3-thiazol-5-yl}acetic acid | C15H15NO2S3

{2-[(2,3-Dihydro-1-benzothiophen-2-ylmethyl)sulfanyl]-4-methyl-1,3-thiazol-5-yl}acetic acid

  • Molecular FormulaC15H15NO2S3
  • Average mass337.480 Da
  • Monoisotopic mass337.026489 Da
  • ChemSpider ID52389007

More details:

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

{2-[(2,3-Dihydro-1-benzothiophen-2-ylmethyl)sulfanyl]-4-methyl-1,3-thiazol-5-yl}acetic acid [ACD/IUPAC Name]
{2-[(2,3-Dihydro-1-benzothiophen-2-ylmethyl)sulfanyl]-4-methyl-1,3-thiazol-5-yl}essigsäure [German] [ACD/IUPAC Name]
5-Thiazoleacetic acid, 2-[[(2,3-dihydrobenzo[b]thien-2-yl)methyl]thio]-4-methyl- [ACD/Index Name]
Acide {2-[(2,3-dihydro-1-benzothiophén-2-ylméthyl)sulfanyl]-4-méthyl-1,3-thiazol-5-yl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 553.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 288.5±30.7 °C
Index of Refraction: 1.702
Molar Refractivity: 90.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 24.57
ACD/KOC (pH 5.5): 119.84
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.41
Polar Surface Area: 129 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 234.4±5.0 cm3

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