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6311-79-1

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Basic Information
CAS No.: 6311-79-1
Name: 4,6-bis(methylsulfanyl)pyrimidin-5-amine
Molecular Structure:
Molecular Structure of 6311-79-1 (4,6-bis(methylsulfanyl)pyrimidin-5-amine)
Formula: C6H9N3S2
Molecular Weight: 187.2858
Synonyms: Pyrimidine,5-amino-4,6-bis(methylthio)- (6CI,8CI);4,6-Bis(methylthio)-5-aminopyrimidine;NSC 43258;
Density: 1.34 g/cm3
Boiling Point: 309 °C at 760 mmHg
Flash Point: 140.7 °C
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Specification

The CAS registry number of 5-Pyrimidinamine,4,6-bis(methylthio)- is 6311-79-1. The molecular formula of it is C6H9N3S2 and molecular weight is 187.2858. Its systematic name is called 4,6-bis(methylsulfanyl)pyrimidin-5-amine.

Physical properties about this chemical are: (1)ACD/LogP: -0.99; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Index of Refraction: 1.654; (7)Molar Refractivity: 51.24 cm3; (8)Molar Volume: 139.7 cm3; (9)Surface Tension: 71.1 dyne/cm; (10)Density: 1.34 g/cm3; (11)Flash Point: 140.7 °C; (12)Enthalpy of Vaporization: 54.97 kJ/mol; (13)Boiling Point: 309 °C at 760 mmHg; (14)Vapour Pressure: 0.000657 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1ncnc(SC)c1N)C
(2)InChI: InChI=1/C6H9N3S2/c1-10-5-4(7)6(11-2)9-3-8-5/h3H,7H2,1-2H3
(3)InChIKey: QEIFJODKTBVZGP-UHFFFAOYAD