Found 1016 results

Search term: MF = 'C_{11}H_{11}N_{3}O_{2}S_{2}'
ChemSpider 2D Image | {[4-Cyclopropyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid | C11H11N3O2S2

{[4-Cyclopropyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

  • Molecular FormulaC11H11N3O2S2
  • Average mass281.354 Da
  • Monoisotopic mass281.029266 Da
  • ChemSpider ID24286710

More details:

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

{[4-Cyclopropyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid [ACD/IUPAC Name]
{[4-Cyclopropyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}essigsäure [German] [ACD/IUPAC Name]
1039819-10-7 [RN]
2-{[4-cyclopropyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Acetic acid, 2-[[4-cyclopropyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
Acide {[4-cyclopropyl-5-(2-thiényl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétique [French] [ACD/IUPAC Name]
2-([4-CYCLOPROPYL-5-(THIOPHEN-2-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)ACETIC ACID
MFCD11538934 [MDL number]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 554.0±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 288.9±31.8 °C
Index of Refraction: 1.818
Molar Refractivity: 73.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 77.6±7.0 dyne/cm
Molar Volume: 168.0±7.0 cm3

Click to predict properties on the Chemicalize site


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