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5305-56-6

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Basic Information
CAS No.: 5305-56-6
Name: 4-AMINO-6-CHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE
Molecular Structure:
Molecular Structure of 5305-56-6 (4-AMINO-6-CHLORO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBALDEHYDE)
Formula: C6H6ClN3OS
Molecular Weight: 203.652
Synonyms: 2-Methylmercapto-4-amino-6-chlor-5-formyl-pyrimidin;4-amino-6-chloro-2-methylthiopyrimidine-5-carbaldehyde;I03-0681;4-Amino-6-chloro-2-methylsulfanyl-pyrimidine-5-carbaldehyde;
Density: 1.519 g/cm3
Boiling Point: 393.638 °C at 760 mmHg
Flash Point: 191.866 °C
PSA: 94.17000
LogP: 1.82780
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Specification

The cas number of the 4-Amino-6-chloro-2-methylsulfanylpyrimidine-5-carbaldehyde is 5305-56-6. Its molecular formula is C6H6ClN3OS. This chemical is a kind of organics. It should be stored in dry and cool environment.
 

The properties of the chemical are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 91; (8)ACD/KOC (pH 7.4): 91; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 94.17 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 48.403 cm3; (15)Molar Volume: 134.075 cm3; (16)Polarizability: 19.188×10-24cm3; (17)Surface Tension: 78.764 dyne/cm; (18)Enthalpy of Vaporization: 64.355 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(SC)nc(N)c1C=O
(2)InChI: InChI=1/C6H6ClN3OS/c1-12-6-9-4(7)3(2-11)5(8)10-6/h2H,1H3,(H2,8,9,10)
(3)InChIKey: RYQKLDSPAVDWAH-UHFFFAOYAQ