Basic information
- Name:
5-Pyrimidinamine, 4,6-dichloro-2-(propylthio)-
- Superlist Name:
- 4,6-Dichloro-2-(propylthio)pyrimidin-5-amine
- CAS No.:
145783-15-9
- Molecular Structure:
- Formula:
- C7H9Cl2N3S
- Molecular Weight:
- 238.14
- Density:
- 1.445 g/cm3
- Boiling Point:
- 334.05 °C at 760 mmHg
- Flash Point:
- 155.828 °C
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Specification
The CAS registry number of 5-Pyrimidinamine, 4,6-dichloro-2-(propylthio)- is 145783-15-9. This chemical is also known as 4,6-Dichloro-2-propylthiopyrimidine-5-amine. The molecular formula of it is C7H9Cl2N3S and molecular weight is 238.13746. Its systematic name and IUPAC name are the same which is called 4,6-dichloro-2-(propylsulfanyl)pyrimidin-5-amine.
Physical properties about this chemical are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 942; (6)ACD/BCF (pH 7.4): 942; (7)ACD/KOC (pH 5.5): 4680; (8)ACD/KOC (pH 7.4): 4680; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.615; (13)Molar Refractivity: 57.523 cm3; (14)Molar Volume: 164.803 cm3; (15)Surface Tension: 65.883 dyne/cm; (16)Density: 1.445 g/cm3; (17)Flash Point: 155.828 °C; (18)Enthalpy of Vaporization: 57.697 kJ/mol; (19)Boiling Point: 334.05 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(SCCC)nc(Cl)c1N
(2)InChI: InChI=1/C7H9Cl2N3S/c1-2-3-13-7-11-5(8)4(10)6(9)12-7/h2-3,10H2,1H3
(3)InChIKey: CJJLJBFJNXMANZ-UHFFFAOYAU
