Product Name

  • Name

    3-CYCLOPENTYLPROPIONYL PIPERIDINE THIOAMIDE

  • EINECS
  • CAS No. 289677-08-3
  • Density 1.034 g/cm3
  • Solubility
  • Melting Point
  • Formula C13H23NS
  • Boiling Point 323 °C at 760 mmHg
  • Molecular Weight 225.39
  • Flash Point 149.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 289677-08-3 (3-CYCLOPENTYLPROPIONYL PIPERIDINE THIOAMIDE)
  • Hazard Symbols
  • Synonyms 3-Cyclopentyl-1-(piperidin-1-yl)propane-1-thione;1-(3-Cyclopentylpropanethioyl)piperidine;3-Cyclopentylpropionyl piperidine thioamide;
  • PSA 35.33000
  • LogP 3.70800

1-Propanethione,3-cyclopentyl-1-(1-piperidinyl)- Specification

The 1-Propanethione,3-cyclopentyl-1-(1-piperidinyl)-, with the CAS registry number 289677-08-3, is also known as 3-Cyclopentyl-1-(piperidin-1-yl)propane-1-thione. The molecular formula of this chemical is C13H23NS and molecular weight is 225.39. What's more, its systematic name is 1-(3-Cyclopentylpropanethioyl)piperidine.

Physical properties of 1-Propanethione,3-cyclopentyl-1-(1-piperidinyl)- are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 149.17; (6)ACD/BCF (pH 7.4): 149.19; (7)ACD/KOC (pH 5.5): 1251.73; (8)ACD/KOC (pH 7.4): 1251.93; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.33 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 68.79 cm3; (15)Molar Volume: 217.8 cm3; (16)Polarizability: 27.27×10-24 cm3; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.034 g/cm3; (19)Flash Point: 149.1 °C; (20)Enthalpy of Vaporization: 56.49 kJ/mol; (21)Boiling Point: 323 °C at 760 mmHg; (22)Vapour Pressure: 0.00027 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(N1CCCCC1)CCC2CCCC2
(2)InChI: InChI=1/C13H23NS/c15-13(14-10-4-1-5-11-14)9-8-12-6-2-3-7-12/h12H,1-11H2
(3)InChIKey: VMOWLPOYMYAFRS-UHFFFAOYAA

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