ChemSpider 2D Image | 2-(Methylsulfanyl)-4,5-dihydro[1,3]thiazino[5,6-b]indole | C11H10N2S2

2-(Methylsulfanyl)-4,5-dihydro[1,3]thiazino[5,6-b]indole

  • Molecular FormulaC11H10N2S2
  • Average mass234.340 Da
  • Monoisotopic mass234.028534 Da
  • ChemSpider ID23280283

More details:

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

1,3-Thiazino[5,6-b]indole, 4,5-dihydro-2-(methylthio)- [ACD/Index Name]
2-(Methylsulfanyl)-4,5-dihydro[1,3]thiazino[5,6-b]indol [German] [ACD/IUPAC Name]
2-(Methylsulfanyl)-4,5-dihydro[1,3]thiazino[5,6-b]indole [ACD/IUPAC Name]
2-(Méthylsulfanyl)-4,5-dihydro[1,3]thiazino[5,6-b]indole [French] [ACD/IUPAC Name]
2-(METHYLSULFANYL)-4H,5H-[1,3]THIAZINO[5,6-B]INDOLE
2-methylthio-1,3-thiazino[5,6-b]indole
917986-02-8 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL436525/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 448.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.0±3.0 kJ/mol
Flash Point: 225.0±31.5 °C
Index of Refraction: 1.769
Molar Refractivity: 67.1±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.66
ACD/KOC (pH 5.5): 1137.53
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 134.60
ACD/KOC (pH 7.4): 1162.89
Polar Surface Area: 79 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 161.7±7.0 cm3

Click to predict properties on the Chemicalize site


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