Name: 2-CHLORO-4-METHYL-6-METHYLSULFANYL-PYRIMIDINE
SKU: 89466-59-1

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Basic Information

Molecular Structure:
CAS No.:	89466-59-1
Name:	2-CHLORO-4-METHYL-6-METHYLSULFANYL-PYRIMIDINE
Article Data:	8

Formula:	C₆H₇ClN₂S
Molecular Weight:	174.654
Synonyms:	2-Chlor-4-methylmercapto-6-methyl-pyrimidin;2-CHLORO-4-METHYL-6-METHYLSULFANYL-PYRIMIDINE;Pyrimidine,2-chloro-4-methyl-6-(methylthio);2-Chlor-4-methyl-6-methylmercapto-pyrimidin;
Density:	1.3 g/cm³
Melting Point:	120-122 °C
Boiling Point:	291.9 °C at 760 mmHg
Flash Point:	130.3 °C
PSA:	51.08000
LogP:	2.16030

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Specification

The Pyrimidine,2-chloro-4-methyl-6-(methylthio)-, with CAS registry number 89466-59-1, has the systematic name of 2-chloro-4-methyl-6-(methylsulfanyl)pyrimidine. Besides this, it is also called pyrimidine, 2-chloro-4-methyl-6-(methylthio)-. And the chemical formula of this chemical is C₆H₇ClN₂S.

Physical properties of Pyrimidine,2-chloro-4-methyl-6-(methylthio)-: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.17; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 26.08; (6)ACD/BCF (pH 7.4): 26.08; (7)ACD/KOC (pH 5.5): 359.22; (8)ACD/KOC (pH 7.4): 359.23; (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: 1.581; (14)Molar Refractivity: 44.43 cm³; (15)Molar Volume: 133.3 cm³; (16)Polarizability: 17.61×10^-24cm³; (17)Surface Tension: 54.6 dyne/cm; (18)Enthalpy of Vaporization: 51.01 kJ/mol; (19)Vapour Pressure: 0.00331 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(SC)nc(Cl)n1
(2)InChI: InChI=1/C6H7ClN2S/c1-4-3-5(10-2)9-6(7)8-4/h3H,1-2H3
(3)InChIKey: GLWCUQHONLZTOE-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H7ClN2S/c1-4-3-5(10-2)9-6(7)8-4/h3H,1-2H3
(5)Std. InChIKey: GLWCUQHONLZTOE-UHFFFAOYSA-N