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| CAS No.: | 1741-83-9 |
|---|---|
| Name: | AMYL METHYL SULFIDE |
| Molecular Structure: | |
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| Formula: | C6H14S |
| Molecular Weight: | 118.243 |
| Synonyms: | Sulfide,methyl pentyl (6CI,7CI,8CI);2-Thiaheptane;Amyl methyl sulfide;Methyl pentylsulfide;NSC 164935;Pentyl methyl sulfide; |
| Density: | 0.835 g/cm3 |
| Melting Point: | -94 °C |
| Boiling Point: | 145 °C at 760 mmHg |
| Flash Point: | 39.7 °C |
| PSA: | 25.30000 |
| LogP: | 2.53960 |
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Specification
The Pentane, 1-(methylthio)-, with the CAS registry number 1741-83-9, is also known as 1-(Methylsulfanyl)pentane. This chemical's molecular formula is C6H14S and molecular weight is 118.24. What's more, its IUPAC name is 1-Methylsulfanylpentane.
Physical properties about Pentane, 1-(methylthio)- are: (1)ACD/LogP: 3.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.01; (5)ACD/BCF (pH 5.5): 114.72; (6)ACD/BCF (pH 7.4): 114.72; (7)ACD/KOC (pH 5.5): 1037.31; (8)ACD/KOC (pH 7.4): 1037.31; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.447; (14)Molar Refractivity: 37.84 cm3; (15)Molar Volume: 141.5 cm3; (16)Surface Tension: 26.6 dyne/cm; (17)Density: 0.835 g/cm3; (18)Flash Point: 39.7 °C; (19)Enthalpy of Vaporization: 37.41 kJ/mol; (20)Boiling Point: 145 °C at 760 mmHg; (21)Vapour Pressure: 6.25 mmHg at 25 °C.
Uses of Pentane, 1-(methylthio)-: it is used to produce other chemicals. For example, it is used to produce 2-Pentylsulfanyl-aniline at ambient temperature. This reaction needs reagents Trifluoroacetic acid, Trifluoromethanesulphonic acid. The yield is about 79 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: S(CCCCC)C
(2) InChI: InChI=1/C6H14S/c1-3-4-5-6-7-2/h3-6H2,1-2H3
(3) InChIKey: FOJGPFUFFHWGFQ-UHFFFAOYAL