5-Methyl-2-(methylthio)pyrimidine supplier

Name
5-METHYL-2-METHYLSULFANYL-PYRIMIDINE
EINECS
CAS No. 100114-24-7
Density 1.14 g/cm³
Solubility
Melting Point
Formula C₆H₈N₂S
Boiling Point 237.3 °C at 760 mmHg
Molecular Weight 140.209
Flash Point 97.3 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Methyl-2-(methylthio)pyrimidine;
PSA 51.08000
LogP 1.50690

5-Methyl-2-(methylthio)pyrimidine Specification

The 5-Methyl-2-(methylthio)pyrimidine with the CAS number 100114-24-7 is also called Pyrimidine,5-methyl-2-(methylthio)-. The systematic name is 5-methyl-2-(methylsulfanyl)pyrimidine. Its molecular formula is C₆H₈N₂S. The Product Category is pyrimidine.

The properties of the chemical are: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.71; (6)ACD/BCF (pH 7.4): 7.71; (7)ACD/KOC (pH 5.5): 150.21; (8)ACD/KOC (pH 7.4): 150.22; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.08 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 39.61 cm³; (15)Molar Volume: 122 cm³; (16)Polarizability: 15.7×10^-24cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Enthalpy of Vaporization: 45.49 kJ/mol; (19)Vapour Pressure: 0.0695 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cnc(SC)nc1
(2)InChI: InChI=1/C6H8N2S/c1-5-3-7-6(9-2)8-4-5/h3-4H,1-2H3
(3)InChIKey: HMROJJZKKIPDRB-UHFFFAOYAW

Product Name

5-METHYL-2-METHYLSULFANYL-PYRIMIDINE

5-Methyl-2-(methylthio)pyrimidine Specification

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