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

Name
1-Propyne, 1-((2-methylpropyl)thio)-
EINECS
CAS No. 56444-80-5
Density 0.904 g/cm³
Solubility
Melting Point
Formula C₇H₁₂S
Boiling Point 170.9 °C at 760 mmHg
Molecular Weight 128.235180
Flash Point 49 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Propyne, 1-((2-methylpropyl)thio)-;
PSA 25.30000
LogP 2.35640

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

Product Name

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

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

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