3-Cyclohexylthiophene supplier

Name
3-CYCLOHEXYLTHIOPHENE
EINECS
CAS No. 120659-34-9
Article Data8
CAS DataBase
Density 1.038 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₄S
Boiling Point 247.743 °C at 760 mmHg
Molecular Weight 166.287
Flash Point 74.664 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-CYCLOHEXYLTHIOPHENE;3-cyclhexylthiophene;3-CYCLOHEXYLTHIOPHENE 98%
PSA 28.24000
LogP 3.79580

3-Cyclohexylthiophene Specification

The Thiophene,3-cyclohexyl-, with the CAS registry number 120659-34-9, has the systematic name of 3-cyclohexylthiophene. It belongs to the product categories: Thiophenes and Pharmacetical. And the molecular formula of the chemical is C₁₀H₁₄S.

The characteristics of Thiophene,3-cyclohexyl- are as followings: (1)ACD/LogP: 4.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.42; (4)ACD/LogD (pH 7.4): 4.42; (5)ACD/BCF (pH 5.5): 1337; (6)ACD/BCF (pH 7.4): 1337; (7)ACD/KOC (pH 5.5): 6015.67; (8)ACD/KOC (pH 7.4): 6015.67; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 28.24 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 50.49 cm³; (15)Molar Volume: 160.1 cm³; (16)Polarizability: 20.01×10^-24cm³; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.038 g/cm³; (19)Flash Point: 74.7 °C; (20)Enthalpy of Vaporization: 46.53 kJ/mol; (21)Boiling Point: 247.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0397 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: s1ccc(c1)C2CCCCC2
(2)InChI: InChI=1/C10H14S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h6-9H,1-5H2
(3)InChIKey: FGHYZEFIPLFAOC-UHFFFAOYAU

Product Name

3-CYCLOHEXYLTHIOPHENE

3-Cyclohexylthiophene Specification

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