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111510-96-4

Basic Information
CAS No.: 111510-96-4
Name: 2-BUTYL-5-METHYLTHIOPHENE
Article Data: 4
Molecular Structure:
Molecular Structure of 111510-96-4 (2-BUTYL-5-METHYLTHIOPHENE)
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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  • 2-butyl-5-methyl thiophene  CAS NO.111510-96-4

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Specification

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