ChemSpider 2D Image | (R)-atb-346 | C21H19NO3S

(R)-atb-346

  • Molecular FormulaC21H19NO3S
  • Average mass365.445 Da
  • Monoisotopic mass365.108551 Da
  • ChemSpider ID32702109
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-(6-Méthoxy-2-naphtyl)propanoate de 4-carbamothioylphényle [French] [ACD/IUPAC Name]
(R)-atb-346
2-Naphthaleneacetic acid, 6-methoxy-α-methyl-, 4-(aminothioxomethyl)phenyl ester, (αR)- [ACD/Index Name]
4-Carbamothioylphenyl (2R)-2-(6-methoxy-2-naphthyl)propanoate [ACD/IUPAC Name]
4-Carbamothioylphenyl-(2R)-2-(6-methoxy-2-naphthyl)propanoat [German] [ACD/IUPAC Name]
1226895-20-0 [RN]
4-CARBAMOTHIOYLPHENYL (2R)-2-(6-METHOXYNAPHTHALEN-2-YL)PROPANOATE
ATB-346
ATB-346, (R)-
UNII-3096O7WP53

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

3F3MY9G813 [DBID]
UNII:3F3MY9G813 [DBID]
UNII-3F3MY9G813 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 561.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.3±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 107.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1258.46
ACD/KOC (pH 5.5): 5760.47
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1258.51
ACD/KOC (pH 7.4): 5760.69
Polar Surface Area: 94 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 56.9±3.0 dyne/cm
Molar Volume: 289.7±3.0 cm3

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