ChemSpider 2D Image | (5z)-5-(Carbamoylimino)-3-[(5r)-6,7,8,9-Tetrahydro-5h-Benzo[7]annulen-5-Ylsulfanyl]-2,5-Dihydroisothiazole-4-Carboxamide | C16H18N4O2S2

(5z)-5-(Carbamoylimino)-3-[(5r)-6,7,8,9-Tetrahydro-5h-Benzo[7]annulen-5-Ylsulfanyl]-2,5-Dihydroisothiazole-4-Carboxamide

  • Molecular FormulaC16H18N4O2S2
  • Average mass362.470 Da
  • Monoisotopic mass362.087128 Da
  • ChemSpider ID35034034

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5Z)-5-(Carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydro-1,2-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
(5Z)-5-(Carbamoylimino)-3-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylsulfanyl]-2,5-dihydro-1,2-thiazole-4-carboxamide [ACD/IUPAC Name]
(5Z)-5-(Carbamoylimino)-3-[(5R)-6,7,8,9-tétrahydro-5H-benzo[7]annulén-5-ylsulfanyl]-2,5-dihydro-1,2-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
(5z)-5-(Carbamoylimino)-3-[(5r)-6,7,8,9-Tetrahydro-5h-Benzo[7]annulen-5-Ylsulfanyl]-2,5-Dihydroisothiazole-4-Carboxamide
4-Isothiazolecarboxamide, 5-[(aminocarbonyl)imino]-2,5-dihydro-3-[[(5R)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl]thio]-, (5Z)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 602.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.3±34.3 °C
Index of Refraction: 1.768
Molar Refractivity: 95.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.77
ACD/KOC (pH 5.5): 136.83
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.77
ACD/KOC (pH 7.4): 136.83
Polar Surface Area: 161 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 71.4±7.0 dyne/cm
Molar Volume: 231.2±7.0 cm3

Click to predict properties on the Chemicalize site


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