6-Chloro-N-ethyl-2-(methylthio)pyrimidin-4-amine supplier

Name
6-CHLORO-N-ETHYL-2-(METHYLSULFANYL)-4-PYRIMIDINAMINE
EINECS
CAS No. 339017-83-3
Article Data3
CAS DataBase
Density 1.29 g/cm³
Solubility
Melting Point
Formula C₇H₁₀ClN₃S
Boiling Point 345.1 °C at 760 mmHg
Molecular Weight 203.69
Flash Point 162.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]-N-ethylamine;
PSA 63.11000
LogP 2.35670

6-Chloro-N-ethyl-2-(methylthio)pyrimidin-4-amine Specification

The CAS registry number of 6-Chloro-N-ethyl-2-(methylthio)pyrimidin-4-amine is 339017-83-3. This chemical is also named as N-[6-Chloro-2-(methylsulfanyl)-4-pyrimidinyl]-N-ethylamine. In addition, its molecular formula is C₇H₁₀ClN₃S and molecular weight is 203.69. Its systematic name is called 6-chloro-N-ethyl-2-(methylsulfanyl)pyrimidin-4-amine.

Physical properties about 6-Chloro-N-ethyl-2-(methylthio)pyrimidin-4-amine are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 3.75; (5)ACD/BCF (pH 5.5): 419.58; (6)ACD/BCF (pH 7.4): 419.61; (7)ACD/KOC (pH 5.5): 2624.27; (8)ACD/KOC (pH 7.4): 2624.44; (9)#H bond acceptors: 3#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.583; (12)Molar Refractivity: 52.72 cm³; (13)Molar Volume: 157.6 cm³; (14)Surface Tension: 55.7 dyne/cm; (15)Density: 1.29 g/cm³; (16)Flash Point: 162.5 °C; (17)Enthalpy of Vaporization: 58.91 kJ/mol; (18)Boiling Point: 345.1 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(SC)nc(NCC)c1
(2)InChI: InChI=1/C7H10ClN3S/c1-3-9-6-4-5(8)10-7(11-6)12-2/h4H,3H2,1-2H3,(H,9,10,11)
(3)InChIKey: DSESJTDYBTVWQY-UHFFFAOYAE

Product Name

6-CHLORO-N-ETHYL-2-(METHYLSULFANYL)-4-PYRIMIDINAMINE

6-Chloro-N-ethyl-2-(methylthio)pyrimidin-4-amine Specification

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