Found 776 results

Search term: MF = 'C_{11}H_{13}N_{5}O_{4}S'
ChemSpider 2D Image | 1-(1H-Benzotriazol-5-yl)-3-[(3S,4S)-4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]urea | C11H13N5O4S

1-(1H-Benzotriazol-5-yl)-3-[(3S,4S)-4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]urea

  • Molecular FormulaC11H13N5O4S
  • Average mass311.317 Da
  • Monoisotopic mass311.068817 Da
  • ChemSpider ID52564597

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(1H-Benzotriazol-5-yl)-3-[(3S,4S)-4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]harnstoff [German] [ACD/IUPAC Name]
1-(1H-Benzotriazol-5-yl)-3-[(3S,4S)-4-hydroxy-1,1-dioxidotetrahydro-3-thiophenyl]urea [ACD/IUPAC Name]
1-(1H-Benzotriazol-5-yl)-3-[(3S,4S)-4-hydroxy-1,1-dioxydotétrahydro-3-thiophényl]urée [French] [ACD/IUPAC Name]
Urea, N-1H-1,2,3-benzotriazol-5-yl-N'-[(3S,4S)-tetrahydro-4-hydroxy-1,1-dioxido-3-thienyl]- [ACD/Index Name]
N-1H-1,2,3-benzotriazol-5-yl-N'-[rac-(3S,4S)-4-hydroxy-1,1-dioxidotetrahydro-3-thienyl]urea

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

Density: 1.7±0.1 g/cm3
Boiling Point: 742.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 403.0±32.9 °C
Index of Refraction: 1.724
Molar Refractivity: 72.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.47
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.40
ACD/LogD (pH 7.4): -1.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.82
Polar Surface Area: 145 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 104.5±5.0 dyne/cm
Molar Volume: 183.3±5.0 cm3

Click to predict properties on the Chemicalize site


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