CAS No.14623-58-6,4,5-DIAMINO-2-MERCAPTOPYRIMIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14623-58-6
Name:	4,5-DIAMINO-2-MERCAPTOPYRIMIDINE

Formula:	C₄H₆N₄S
Molecular Weight:	142.184
Synonyms:	2(1H)-Pyrimidinethione,4,5-diamino- (9CI);2-Pyrimidinethiol, 4,5-diamino- (7CI,8CI);2-Mercapto-4,5-pyrimidinediamine;4,5-Diamino-2-pyrimidinethione;
Density:	1.78 g/cm³
Melting Point:	250℃ (DEC.)
Boiling Point:	229.3 °C at 760 mmHg
Flash Point:	92.5 °C
PSA:	116.62000
LogP:	1.09210

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Specification

This chemical is called 2(1H)-Pyrimidinethione,5,6-diamino-, and its IUPAC name is 5,6-diamino-1H-pyrimidine-2-thione. With the molecular formula of C₄H₆N₄S, its molecular weight is 142.18. The CAS registry number of this chemical is 14623-58-6. Additionally, its product categories are Pyrimidine;Thiol.

Other characteristics of the 2(1H)-Pyrimidinethione,5,6-diamino- can be summarised as followings: (1)ACD/LogP: -3.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.2; (4)ACD/LogD (pH 7.4): -3.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.17 Å²; (13)Index of Refraction: 1.85; (14)Molar Refractivity: 35.68 cm³; (15)Molar Volume: 79.8 cm³; (16)Polarizability: 14.14×10^-24cm³; (17)Surface Tension: 77.1 dyne/cm; (18)Density: 1.78 g/cm³; (19)Flash Point: 92.5 °C; (20)Enthalpy of Vaporization: 46.59 kJ/mol; (21)Boiling Point: 229.3 °C at 760 mmHg; (22)Vapour Pressure: 0.07 mmHg at 25°C.

Uses of this chemical: The 2-benzylsulfanyl-pyrimidine-4,5-diamine could be obtained by the (1H)-Pyrimidinethione,5,6-diamino-. This reaction needs the reagent of potassium carbonate, and the solvent of ethanol. The yield is 62 %. In addition, this reaction should be taken for 3 hours. The other condition is heating.

The 2-benzylsulfanyl-pyrimidine-4,5-diamine could be obtained by the (1H)-Pyrimidinethione,5,6-diamino-

You can still convert the following datas into molecular structure:
1.SMILES: S=C1/N=C\C(\N)=C(\N)N1
2.InChI: InChI=1/C4H6N4S/c5-2-1-7-4(9)8-3(2)6/h1H,5H2,(H3,6,7,8,9)
3.InChIKey: KDVXWCSUTDEXFF-UHFFFAOYAF