4-Chloro-6-methylthiopyrimidine supplier

Name
4-CHLORO-6-METHYLTHIOPYRIMIDINE
EINECS
CAS No. 89283-48-7
Article Data13
CAS DataBase
Density 1.37 g/cm³
Solubility
Melting Point 50-51 °C
Formula C₅H₅ClN₂S
Boiling Point 260.229 °C at 760 mmHg
Molecular Weight 160.627
Flash Point 111.183 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-6-methylsulfanylpyrimidine;4-Chloro-6-methylthiopyrimidine;Pyrimidine, 4-chloro-6-(methylthio)-;
PSA 51.08000
LogP 1.85190

4-Chloro-6-methylthiopyrimidine Specification

The 4-Chloro-6-methylthiopyrimidine, with the CAS registry number 89283-48-7, has the systematic name of 4-chloro-6-(methylsulfanyl)pyrimidine. And the molecular formula of the chemical is C₅H₅ClN₂S.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 78; (8)ACD/KOC (pH 7.4): 78; (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: 1.595; (14)Molar Refractivity: 39.816 cm³; (15)Molar Volume: 117.233 cm³; (16)Polarizability: 15.784×10^-24cm³; (17)Surface Tension: 58.551 dyne/cm; (18)Density: 1.37 g/cm³; (19)Flash Point: 111.183 °C; (20)Enthalpy of Vaporization: 47.781 kJ/mol; (21)Boiling Point: 260.229 °C at 760 mmHg; (22)Vapour Pressure: 0.02 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1cc(SC)ncn1
(2)InChI: InChI=1/C5H5ClN2S/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3
(3)InChIKey: BMQSAIGMUNXTKZ-UHFFFAOYAQ

Product Name

4-CHLORO-6-METHYLTHIOPYRIMIDINE

4-Chloro-6-methylthiopyrimidine Specification

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