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CAS No.: | 19983-18-7 |
---|---|
Name: | 2-PYRROLIDINO-THIOPHENE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H11NS |
Molecular Weight: | 153.24 |
Synonyms: | 1-(2-Thienyl)pyrrolidine;2-Pyrrolidinothiophene;N-(2-Thienyl)pyrrolidine; |
Density: | 1.107 g/cm3 |
Boiling Point: | 245 °C at 760 mmHg |
Flash Point: | 102 °C |
PSA: | 31.48000 |
LogP: | 2.41330 |
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The Pyrrolidine,1-(2-thienyl)-, with CAS registry number 19983-18-7, has the systematic name of 2-(thiophen-2-yl)pyrrolidine. Besides this, it is also called 2-(2-Thienyl)pyrrolidine. And the chemical formula of this chemical is C8H11NS.
Physical properties of Pyrrolidine,1-(2-thienyl)-: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 31.48 Å2; (7)Index of Refraction: 1.557; (8)Molar Refractivity: 44.62 cm3; (9)Molar Volume: 138.4 cm3; (10)Polarizability: 17.69×10-24cm3; (11)Surface Tension: 40.6 dyne/cm; (12)Density: 1.107 g/cm3; (13)Flash Point: 102 °C; (14)Enthalpy of Vaporization: 48.21 kJ/mol; (15)Boiling Point: 245 °C at 760 mmHg; (16)Vapour Pressure: 0.0294 mmHg at 25°C.
Preparation: this chemical can be prepared by pyrrolidine and 3H-thiophene-2-thione. This reaction will need solvent toluene. The reaction time is 14 min. The yield is about 60%.
You can still convert the following datas into molecular structure:
(1)SMILES: s1c(ccc1)C2NCCC2
(2)InChI: InChI=1/C8H11NS/c1-3-7(9-5-1)8-4-2-6-10-8/h2,4,6-7,9H,1,3,5H2
(3)InChIKey: BNUVOMNEUJWHCF-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H11NS/c1-3-7(9-5-1)8-4-2-6-10-8/h2,4,6-7,9H,1,3,5H2
(5)Std. InChIKey: BNUVOMNEUJWHCF-UHFFFAOYSA-N