ChemSpider 2D Image | Tolciclate | C20H21NOS

Tolciclate

  • Molecular FormulaC20H21NOS
  • Average mass323.452 Da
  • Monoisotopic mass323.134369 Da
  • ChemSpider ID32701068

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

256-792-5 [EINECS]
50838-36-3 [RN]
Carbamothioic acid, N-methyl-N-(3-methylphenyl)-, O-[(1S,4R)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl] ester [ACD/Index Name]
Méthyl(3-méthylphényl)carbamothioate de O-[(1R,8S)-tricyclo[6.2.1.02,7]undéca-2,4,6-trién-4-yle] [French] [ACD/IUPAC Name]
O-[(1R,8S)-Tricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl] methyl(3-methylphenyl)carbamothioate [ACD/IUPAC Name]
O-[(1R,8S)-Tricyclo[6.2.1.02,7]undeca-2,4,6-trien-4-yl]-methyl(3-methylphenyl)carbamothioat [German] [ACD/IUPAC Name]
T3TZ02X2AZ
Tolciclate [INN] [JAN] [USAN] [Wiki]
UNII:T3TZ02X2AZ

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

3811 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 447.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.6±3.0 kJ/mol
Flash Point: 224.3±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 98.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4065.09
ACD/KOC (pH 5.5): 13334.17
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4065.10
ACD/KOC (pH 7.4): 13334.19
Polar Surface Area: 45 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 262.7±3.0 cm3

Click to predict properties on the Chemicalize site


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