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Search term: RIOJWCPDYNVPTA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[(1,1-Dioxidotetrahydro-3-thiophenyl)methyl]-4-sulfanyl-2-thiophenecarboxamide | C10H13NO3S3

N-[(1,1-Dioxidotetrahydro-3-thiophenyl)methyl]-4-sulfanyl-2-thiophenecarboxamide

  • Molecular FormulaC10H13NO3S3
  • Average mass291.410 Da
  • Monoisotopic mass291.005768 Da
  • ChemSpider ID55402003

More details:

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

2-Thiophenecarboxamide, 4-mercapto-N-[(tetrahydro-1,1-dioxido-3-thienyl)methyl]- [ACD/Index Name]
N-[(1,1-Dioxidotetrahydro-3-thiophenyl)methyl]-4-sulfanyl-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-[(1,1-Dioxidotetrahydro-3-thiophenyl)methyl]-4-sulfanyl-2-thiophenecarboxamide [ACD/IUPAC Name]
N-[(1,1-Dioxydotétrahydro-3-thiophényl)méthyl]-4-sulfanyl-2-thiophènecarboxamide [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: 583.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.7±25.9 °C
Index of Refraction: 1.617
Molar Refractivity: 71.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.11
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.63
ACD/KOC (pH 5.5): 43.74
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.61
Polar Surface Area: 139 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 203.2±3.0 cm3

Click to predict properties on the Chemicalize site


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