ChemSpider 2D Image | (2Z)-2-Chloro-4-(diisopropylamino)-4-thioxo-2-butenoic acid | C10H16ClNO2S

(2Z)-2-Chloro-4-(diisopropylamino)-4-thioxo-2-butenoic acid

  • Molecular FormulaC10H16ClNO2S
  • Average mass249.758 Da
  • Monoisotopic mass249.059021 Da
  • ChemSpider ID23349697

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Chlor-4-(diisopropylamino)-4-thioxo-2-butensäure [German] [ACD/IUPAC Name]
(2Z)-2-Chloro-4-(diisopropylamino)-4-thioxo-2-butenoic acid [ACD/IUPAC Name]
(2Z)-2-Chloro-4-(diisopropylamino)-4-thioxobut-2-enoic acid
2-Butenoic acid, 4-[bis(1-methylethyl)amino]-2-chloro-4-thioxo-, (2Z)- [ACD/Index Name]
Acide (2Z)-2-chloro-4-(diisopropylamino)-4-thioxo-2-buténoïque [French] [ACD/IUPAC Name]
139265-93-3 [RN]
3-(N,N-diisopropylcarbamothioyl)-2-chloroacrylic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 315.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.2±6.0 kJ/mol
Flash Point: 144.5±30.7 °C
Index of Refraction: 1.550
Molar Refractivity: 65.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -1.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 47.4±3.0 dyne/cm
Molar Volume: 206.0±3.0 cm3

Click to predict properties on the Chemicalize site


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