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4-Cyclopropyl-6-(methylthio)-1,3,5-triazin-2-amine (175204-57-6)

Identification
Name:4-Cyclopropyl-6-(methylthio)-1,3,5-triazin-2-amine
Synonyms:1,3,5-triazin-2-amine, 4-cyclopropyl-6-(methylthio)-;
CAS:175204-57-6
Molecular Formula: C7H10N4S
Molecular Weight: 182.25
InChI: InChI=1/C7H10N4S/c1-12-7-10-5(4-2-3-4)9-6(8)11-7/h4H,2-3H2,1H3,(H2,8,9,10,11)
Molecular Structure: (C7H10N4S) 1,3,5-triazin-2-amine, 4-cyclopropyl-6-(methylthio)-;
Properties
Density:1.36 g/cm3
Refractive index:1.643
Specification:

The 4-Cyclopropyl-6-(methylthio)-1,3,5-triazin-2-amine with the cas number 175204-57-6 is also called 1,3,5-triazin-2-amine, 4-cyclopropyl-6-(methylthio)-. The molecular formula of this chemical is C7H10N4S. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.68; (5)ACD/BCF (pH 5.5): 11.19; (6)ACD/BCF (pH 7.4): 11.23; (7)ACD/KOC (pH 5.5): 195.79; (8)ACD/KOC (pH 7.4): 196.6; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.21 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 48.22 cm3; (15)Molar Volume: 133.2 cm3; (16)Polarizability: 19.11×10-24cm3; (17)Surface Tension: 79.2 dyne/cm; (18)Enthalpy of Vaporization: 70.11 kJ/mol ; (19)Vapour Pressure: 4.63×10-8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1nc(nc(n1)N)C2CC2)C
(2)InChI: InChI=1/C7H10N4S/c1-12-7-10-5(4-2-3-4)9-6(8)11-7/h4H,2-3H2,1H3,(H2,8,9,10,11) 
(3)InChIKey: XYDFXDHDWLWQLA-UHFFFAOYAQ

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