2-Isopropyl-3-methylthiopyrazine supplier

Name
2-METHYLTHIO-3-ISOPROPYLPYRAZINE
EINECS 267-913-6
CAS No. 67952-59-4
Density 1.08 g/cm³
Solubility
Melting Point
Formula C₈H₁₂N₂S
Boiling Point 246.1 °C at 760 mmHg
Molecular Weight 168.2593
Flash Point 102.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazine, 2-(1-methylethyl)-3-(methylthio)-;
PSA 51.08000
LogP 2.32190

2-Isopropyl-3-methylthiopyrazine Specification

The 2-Isopropyl-3-methylthiopyrazine, with the CAS registry number of 67952-59-4, is also known as Pyrazine, 2-(1-methylethyl)-3-(methylthio)-. Its EINECS registry number is 267-913-6. Its molecular formula is C₈H₁₂N₂S and molecular weight is 168.26. What's more, its IUPAC name is 2-Methylsulfanyl-3-propan-2-ylpyrazine.

Physical properties about the 2-Isopropyl-3-methylthiopyrazine are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.6; (6)ACD/BCF (pH 7.4): 55.6; (7)ACD/KOC (pH 5.5): 617.63; (8)ACD/KOC (pH 7.4): 617.64; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.08 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 48.85 cm³; (15)Molar Volume: 155.7 cm³; (16)Surface Tension: 45 dyne/cm; (17)Density: 1.08 g/cm³; (18)Flash Point: 102.6 °C; (19)Enthalpy of Vaporization: 46.36 kJ/mol; (20)Boiling Point: 246.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0434 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S(c1nccnc1C(C)C)C
(2) InChI: InChI=1/C8H12N2S/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
(3) InChIKey: MUSIVZZZFRJWGI-UHFFFAOYAG

Product Name

2-METHYLTHIO-3-ISOPROPYLPYRAZINE

2-Isopropyl-3-methylthiopyrazine Specification

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