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56444-80-5

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Basic Information
CAS No.: 56444-80-5
Name: 1-Propyne, 1-((2-methylpropyl)thio)-
Molecular Structure:
Molecular Structure of 56444-80-5 (1-Propyne, 1-((2-methylpropyl)thio)-)
Formula: C7H12S
Molecular Weight: 128.235180
Synonyms: 1-Propyne, 1-((2-methylpropyl)thio)-;
Density: 0.904 g/cm3
Boiling Point: 170.9 °C at 760 mmHg
Flash Point: 49 °C
PSA: 25.30000
LogP: 2.35640
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  • 2-Methyl-1-prop-1-ynylsulfanyl-propane

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    56444-80-5

    2-Methyl-1-prop-1-ynylsulfanyl-propane

    Min.Order: 1 Gram

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

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  • 1-Propyne, 1-((2-methylpropyl)thio)-

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    56444-80-5

    1-Propyne, 1-((2-methylpropyl)thio)-

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    1. Product advantages? High purity, all above 98.5%, no impurities after dissolution? We will test each batch to ensure quality? OEM and private brand services designed for free? Various cap colors available? We can also provide MT1 peptide powder2.

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  • 1H-Pyrrole, 2-chloro-

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    56444-80-5

    1H-Pyrrole, 2-chloro-

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    Our own factory produces direct sales with absolute price advantage Application:Pharmaceutical industry Transportation:By sea Port:Shanghai/tianjin

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  • 1-Propyne, 1-((2-methylpropyl)thio)-

  • Casno:

    56444-80-5

    1-Propyne, 1-((2-methylpropyl)thio)-

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

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Specification

The 2-Methyl-1-prop-1-ynylsulfanyl-propane, with the CAS registry number of 56444-80-5, is also known as 1-Propyne, 1-((2-methylpropyl)thio)-. Its molecular formula is C7H12S and molecular weight is 128.235180. What's more, its IUPAC name is 2-Methyl-1-prop-1-ynylsulfanylpropane.

Physical properties about the 2-Methyl-1-prop-1-ynylsulfanyl-propane are: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 3.81; (5)ACD/BCF (pH 5.5): 462.83; (6)ACD/BCF (pH 7.4): 462.83; (7)ACD/KOC (pH 5.5): 2815.2; (8)ACD/KOC (pH 7.4): 2815.2; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.3 Å2; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 40.43 cm3; (15)Molar Volume: 141.7 cm3; (16)Surface Tension: 31.9 dyne/cm; (17)Density: 0.904 g/cm3; (18)Flash Point: 49 °C; (19)Enthalpy of Vaporization: 39.06 kJ/mol; (20)Boiling Point: 170.9 °C at 760 mmHg; (21)Vapour Pressure: 1.91 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C(#CSCC(C)C)C
(2) InChI: InChI=1/C7H12S/c1-4-5-8-6-7(2)3/h7H,6H2,1-3H3
(3) InChIKey: MTNSEVRHOHANSK-UHFFFAOYAM