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| CAS No.: | 120659-34-9 |
|---|---|
| Name: | 3-CYCLOHEXYLTHIOPHENE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C10H14S |
| Molecular Weight: | 166.287 |
| Synonyms: | 3-CYCLOHEXYLTHIOPHENE;3-cyclhexylthiophene;3-CYCLOHEXYLTHIOPHENE 98% |
| Density: | 1.038 g/cm3 |
| Boiling Point: | 247.743 °C at 760 mmHg |
| Flash Point: | 74.664 °C |
| PSA: | 28.24000 |
| LogP: | 3.79580 |
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- Total:28 Page 1 of 1 1
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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