Pyrrolidine,1-(1-benzo[b]thien-2-ylcyclohexyl)- supplier

Name
1-(1-(2-benzo(b)thienyl)cyclohexyl)pyrrolidine
EINECS
CAS No. 147299-15-8
Density 1.159 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₃NS
Boiling Point 410.6 °C at 760 mmHg
Molecular Weight 285.45
Flash Point 202.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms SH 354;1-(1-(2-Benzo(b)thienyl)cyclohexyl)pyrrolidine;
PSA 31.48000
LogP 5.09440

Pyrrolidine,1-(1-benzo[b]thien-2-ylcyclohexyl)- Specification

The Pyrrolidine, 1-(1-benzo[b]thien-2-ylcyclohexyl)-, with the CAS registry number 147299-15-8, is also known as 1-(1-(2-Benzo(b)thienyl)cyclohexyl)pyrrolidine. This chemical's molecular formula is C₁₈H₂₃NS and molecular weight is 285.45. What's more, its IUPAC name is 1-[1-(1-Benzothiophen-2-yl)cyclohexyl]pyrrolidine.

Physical properties about Pyrrolidine, 1-(1-benzo[b]thien-2-ylcyclohexyl)- are: (1)ACD/LogP: 6.48; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 31.48 Å²; (7)Index of Refraction: 1.636; (8)Molar Refractivity: 88.3 cm³; (9)Molar Volume: 246 cm³; (10)Polarizability: 35×10^-24 cm³; (11)Surface Tension: 51 dyne/cm; (12)Density: 1.159 g/cm³; (13)Flash Point: 202.1 °C; (14)Enthalpy of Vaporization: 66.3 kJ/mol; (15)Boiling Point: 410.6 °C at 760 mmHg; (16)Vapour Pressure: 5.94E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: s2c1ccccc1cc2C4(N3CCCC3)CCCCC4
(2) InChI: InChI=1/C18H23NS/c1-4-10-18(11-5-1,19-12-6-7-13-19)17-14-15-8-2-3-9-16(15)20-17/h2-3,8-9,14H,1,4-7,10-13H2
(3) InChIKey: NDVZYCXZMVQYBS-UHFFFAOYAB

Product Name

1-(1-(2-benzo(b)thienyl)cyclohexyl)pyrrolidine

Pyrrolidine,1-(1-benzo[b]thien-2-ylcyclohexyl)- Specification

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