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Search term: ZMUMKWHWDXKBDS-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-{2-[(1H-Indol-3-ylmethyl)sulfanyl]ethyl}-3-methylthiourea | C13H17N3S2

1-{2-[(1H-Indol-3-ylmethyl)sulfanyl]ethyl}-3-methylthiourea

  • Molecular FormulaC13H17N3S2
  • Average mass279.424 Da
  • Monoisotopic mass279.086395 Da
  • ChemSpider ID23111812

More details:

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

1-{2-[(1H-Indol-3-ylmethyl)sulfanyl]ethyl}-3-methylthioharnstoff [German] [ACD/IUPAC Name]
1-{2-[(1H-Indol-3-ylmethyl)sulfanyl]ethyl}-3-methylthiourea [ACD/IUPAC Name]
1-{2-[(1H-Indol-3-ylméthyl)sulfanyl]éthyl}-3-méthylthiourée [French] [ACD/IUPAC Name]
Thiourea, N-[2-[(1H-indol-3-ylmethyl)thio]ethyl]-N'-methyl- [ACD/Index Name]
1-[2-(1H-Indol-3-ylmethylsulfanyl)-ethyl]-3-methyl-thiourea

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

Density: 1.3±0.1 g/cm3
Boiling Point: 469.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.8±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 81.5±0.5 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.80
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.80
Polar Surface Area: 104 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 221.4±7.0 cm3

Click to predict properties on the Chemicalize site


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