-
Name
AMYL METHYL SULFIDE
- EINECS
- CAS No. 1741-83-9
- Article Data8
- CAS DataBase
- Density 0.835 g/cm3
- Solubility
- Melting Point -94 °C
- Formula C6H14S
- Boiling Point 145 °C at 760 mmHg
- Molecular Weight 118.243
- Flash Point 39.7 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Sulfide,methyl pentyl (6CI,7CI,8CI);2-Thiaheptane;Amyl methyl sulfide;Methyl pentylsulfide;NSC 164935;Pentyl methyl sulfide;
- PSA 25.30000
- LogP 2.53960
Pentane,1-(methylthio)- 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
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- Pentane, 2,4-dichloro-
- Pentane, 2-chloro-
- Pentane, 2-iodo-
- Pentane, 3,3-diethyl-
- Pentane, 3,3-dimethyl-
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