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CAS No.: | 111510-96-4 |
---|---|
Name: | 2-BUTYL-5-METHYLTHIOPHENE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H14S |
Molecular Weight: | 154.276 |
Synonyms: | 2-N-BUTYL-5-METHYLTHIOPHENE;2-BUTYL-5-METHYLTHIOPHENE |
Density: | 0.958g/cm3 |
Boiling Point: | 200.6 °C at 760 mmHg |
Flash Point: | 52.4 °C |
Safety: | 24/25 |
PSA: | 28.24000 |
LogP: | 3.39910 |
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The CAS registry number of Thiophene,2-butyl-5-methyl- is 111510-96-4. This chemical's molecular formula is C9H14S and molecular weight is 154.27. What's more, its systematic name is called 2-Butyl-5-methylthiophene. It is stable in normal temperature and pressure. It can not contact with strong oxidant. When you are dealing with this chemical, you should be very careful. Therefore, you should avoid contacting with skin and eyes.
Physical properties about Thiophene,2-butyl-5-methyl- are: (1)ACD/LogP: 4.41; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.41; (4)ACD/LogD (pH 7.4): 4.41; (5)ACD/BCF (pH 5.5): 1324.29; (6)ACD/BCF (pH 7.4): 1324.29; (7)ACD/KOC (pH 5.5): 5974.67; (8)ACD/KOC (pH 7.4): 5974.67; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 28.24 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 48.27 cm3; (15)Molar Volume: 161 cm3; (16)Surface Tension: 32.4 dyne/cm; (17)Density: 0.958 g/cm3; (18)Flash Point: 52.4 °C; (19)Enthalpy of Vaporization: 41.9 kJ/mol; (20)Boiling Point: 200.6 °C at 760 mmHg; (21)Vapour Pressure: 0.455 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: s1c(ccc1CCCC)C
(2) InChI: InChI=1/C9H14S/c1-3-4-5-9-7-6-8(2)10-9/h6-7H,3-5H2,1-2H3
(3) InChIKey: GVCKDFUWZSZTLQ-UHFFFAOYAW