Found 17 results

Search term: MF = 'C_{27}H_{33}N_{3}OS_{2}'
ChemSpider 2D Image | 1-[3-(1-Azepanyl)propyl]-3-(4-phenoxyphenyl)-1-(2-thienylmethyl)thiourea | C27H33N3OS2

1-[3-(1-Azepanyl)propyl]-3-(4-phenoxyphenyl)-1-(2-thienylmethyl)thiourea

  • Molecular FormulaC27H33N3OS2
  • Average mass479.700 Da
  • Monoisotopic mass479.206512 Da
  • ChemSpider ID22467669

More details:

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

1-[3-(1-Azepanyl)propyl]-3-(4-phenoxyphenyl)-1-(2-thienylmethyl)thioharnstoff [German] [ACD/IUPAC Name]
1-[3-(1-Azepanyl)propyl]-3-(4-phenoxyphenyl)-1-(2-thienylmethyl)thiourea [ACD/IUPAC Name]
1-[3-(1-Azépanyl)propyl]-3-(4-phénoxyphényl)-1-(2-thiénylméthyl)thiourée [French] [ACD/IUPAC Name]
Thiourea, N-[3-(hexahydro-1H-azepin-1-yl)propyl]-N'-(4-phenoxyphenyl)-N-(2-thienylmethyl)- [ACD/Index Name]
1-[3-(AZEPAN-1-YL)PROPYL]-3-(4-PHENOXYPHENYL)-1-(THIOPHEN-2-YLMETHYL)THIOUREA
1-[3-(AZEPAN-1-YL)PROPYL]-3-(4-PHENOXYPHENYL)-1-[(THIOPHEN-2-YL)METHYL]THIOUREA

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

Density: 1.2±0.1 g/cm3
Boiling Point: 603.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 319.0±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 144.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.72
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 21.14
ACD/KOC (pH 5.5): 42.53
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 261.51
ACD/KOC (pH 7.4): 526.03
Polar Surface Area: 88 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 399.2±3.0 cm3

Click to predict properties on the Chemicalize site


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