Products Categories
CAS No.: | 261765-64-4 |
---|---|
Name: | 4-Chloro-2-(methylthio)-6-(propylamino)pyrimidine |
Molecular Structure: | |
Formula: | C8H12ClN3S |
Molecular Weight: | 217.72 |
Synonyms: | 4-Chloro-2-(methylthio)-6-(propylamino)pyrimidine;6-Chloro-2-(methylthio)-N-propylpyrimidin-4-amine;4-Chloro-6-propylamino-2-methylthiopyrimidine; |
Density: | 1.251 g/cm3 |
Boiling Point: | 356.489 °C at 760 mmHg |
Flash Point: | 169.399 °C |
Hazard Symbols: | Xi |
PSA: | 63.11000 |
LogP: | 2.74680 |
What can I do for you?
Get Best Price
This chemical is called 4-Chloro-2-(methylthio)-6-(propylamino)pyrimidine, and its systematic name is 6-chloro-2-(methylsulfanyl)-N-propylpyrimidin-4-amine. With the molecular formula of C8H12ClN3S, its molecular weight is 217.72. The CAS registry number of this chemical is 261765-64-4, and its product categories are Amines; blocks; APIs & Intermediate; Pyrimidine.
Other characteristics of the 4-Chloro-2-(methylthio)-6-(propylamino)pyrimidine can be summarised as followings: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 54; (6)ACD/BCF (pH 7.4): 54; (7)ACD/KOC (pH 5.5): 602; (8)ACD/KOC (pH 7.4): 602; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 63.11 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 57.353 cm3; (15)Molar Volume: 174.104 cm3; (16)Polarizability: 22.737×10-24cm3; (17)Surface Tension: 53.548 dyne/cm; (18)Density: 1.251 g/cm3; (19)Flash Point: 169.399 °C; (20)Enthalpy of Vaporization: 60.175 kJ/mol; (21)Boiling Point: 356.489 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1nc(SC)nc(NCCC)c1
2.InChI: InChI=1/C8H12ClN3S/c1-3-4-10-7-5-6(9)11-8(12-7)13-2/h5H,3-4H2,1-2H3,(H,10,11,12)
3.InChIKey: HAKZYDKVDFZKHU-UHFFFAOYAD