ChemSpider 2D Image | S-{4-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl]phenyl} dimethylcarbamothioate | C25H31NO2S

S-{4-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl]phenyl} dimethylcarbamothioate

  • Molecular FormulaC25H31NO2S
  • Average mass409.584 Da
  • Monoisotopic mass409.207550 Da
  • ChemSpider ID23201068

More details:

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

Carbamothioic acid, N,N-dimethyl-, S-[4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]phenyl] ester [ACD/Index Name]
Diméthylcarbamothioate de S-{4-[(3,5,5,8,8-pentaméthyl-5,6,7,8-tétrahydro-2-naphtalényl)carbonyl]phényle} [French] [ACD/IUPAC Name]
S-{4-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl]phenyl} dimethylcarbamothioate [ACD/IUPAC Name]
S-{4-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-2-naphthalinyl)carbonyl]phenyl}-dimethylcarbamothioat [German] [ACD/IUPAC Name]
S-{4-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]phenyl} dimethylcarbamothioate
N,N-dimethyl-1-({4-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]phenyl}sulfanyl)formamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 519.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 267.9±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 121.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.55
ACD/LogD (pH 5.5): 6.52
ACD/BCF (pH 5.5): 52859.16
ACD/KOC (pH 5.5): 83635.65
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 52859.16
ACD/KOC (pH 7.4): 83635.65
Polar Surface Area: 63 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 49.1±5.0 dyne/cm
Molar Volume: 356.4±5.0 cm3

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