Found 1 result

Search term: MF = 'C_{18}H_{12}D_{6}ClNS'
ChemSpider 2D Image | (3Z)-3-(2-Chloro-9H-thioxanthen-9-ylidene)-N,N-bis[(~2~H_3_)methyl]-1-propanamine | C18H12D6ClNS

(3Z)-3-(2-Chloro-9H-thioxanthen-9-ylidene)-N,N-bis[(2H3)methyl]-1-propanamine

  • Molecular FormulaC18H12D6ClNS
  • Average mass321.897 Da
  • Monoisotopic mass321.122498 Da
  • ChemSpider ID78333930

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(3Z)-3-(2-Chlor-9H-thioxanthen-9-yliden)-N,N-bis[(2H3)methyl]-1-propanamin [German] [ACD/IUPAC Name]
(3Z)-3-(2-Chloro-9H-thioxanthen-9-ylidene)-N,N-bis[(2H3)methyl]-1-propanamine [ACD/IUPAC Name]
(3Z)-3-(2-Chloro-9H-thioxanthén-9-ylidène)-N,N-bis[(2H3)méthyl]-1-propanamine [French] [ACD/IUPAC Name]
1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-di(methyl-d3)-, (3Z)- [ACD/Index Name]
1246912-83-3 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 435.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 216.9±28.7 °C
Index of Refraction: 1.683
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 9.20
ACD/KOC (pH 5.5): 24.42
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 194.09
ACD/KOC (pH 7.4): 515.51
Polar Surface Area: 29 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 251.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement