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Thiophene,2-butyl-5-methyl-

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Name

Thiophene,2-butyl-5-methyl-

EINECS N/A
CAS No. 111510-96-4 Density 0.958g/cm3
PSA 28.24000 LogP 3.39910
Solubility N/A Melting Point N/A
Formula C9H14S Boiling Point 200.6 °C at 760 mmHg
Molecular Weight 154.276 Flash Point 52.4 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 111510-96-4 (2-BUTYL-5-METHYLTHIOPHENE) Hazard Symbols N/A
Synonyms

2-N-BUTYL-5-METHYLTHIOPHENE;2-BUTYL-5-METHYLTHIOPHENE

Article Data 4

Thiophene,2-butyl-5-methyl- 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

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