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72437-68-4

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Basic Information
CAS No.: 72437-68-4
Name: METHYL PENTYL DISULPHIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 72437-68-4 (METHYL PENTYL DISULPHIDE)
Formula: C6H14S2
Molecular Weight: 150.309
Synonyms: Methyl pentyl disulphide, 90%;
Density: 0.966 g/cm3
Melting Point: -77.24°C (estimate)
Boiling Point: 190.9 °C at 760 mmHg
Flash Point: 68.2 °C
PSA: 50.60000
LogP: 3.18780
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Specification

The Disulfide, methylpentyl, with the CAS registry number of 72437-68-4, is also known as Methyl pentyl disulphide, 90%. It belongs to the product categories of Sulfide Flavor. This chemical's molecular formula is C6H14S2 and molecular weight is 148.28948. What's more, its systematic name is 1-(Methyldisulfanyl)pentane.

Physical properties about the Disulfide, methylpentyl are: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.9; (4)ACD/LogD (pH 7.4): 3.9; (5)ACD/BCF (pH 5.5): 537.66; (6)ACD/BCF (pH 7.4): 537.66; (7)ACD/KOC (pH 5.5): 3133.99; (8)ACD/KOC (pH 7.4): 3133.99; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 50.6 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 45.84 cm3; (15)Molar Volume: 155.5 cm3; (16)Surface Tension: 32.8 dyne/cm; (17)Density: 0.966 g/cm3; (18)Flash Point: 68.2 °C; (19)Enthalpy of Vaporization: 40.96 kJ/mol; (20)Boiling Point: 190.9 °C at 760 mmHg; (21)Vapour Pressure: 0.735 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S(SCCCCC)C
(2) InChI: InChI=1/C6H14S2/c1-3-4-5-6-8-7-2/h3-6H2,1-2H3
(3) InChIKey: VDJXDNLYBDHPHP-UHFFFAOYAA