Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Chloro-6-methylthiopyrimidine |
EINECS | N/A |
CAS No. | 89283-48-7 | Density | 1.37 g/cm3 |
PSA | 51.08000 | LogP | 1.85190 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | 36/37 | Risk Codes | 43 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Chloro-6-methylsulfanylpyrimidine;4-Chloro-6-methylthiopyrimidine;Pyrimidine, 4-chloro-6-(methylthio)-; |
Article Data | 13 |
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