4(3H)-Pyrimidinethione,2,6-diamino- supplier

Name
2,4-DIAMINO-6-MERCAPTOPYRIMIDINE
EINECS
CAS No. 56-08-6
Density 1.78 g/cm³
Solubility
Melting Point >230 °C (decomp)(Solv: water (7732-18-5))
Formula C₄H₆N₄S
Boiling Point 289.1 °C at 760 mmHg
Molecular Weight 142.18
Flash Point 128.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Pyrimidinethione,2,6-diamino- (8CI,9CI);4-Pyrimidinethiol, 2,6-diamino- (6CI,7CI);2,4-Diamino-6-mercaptopyrimidine;2,4-Diaminopyrimidine-6-thiol;2,4-Diaminopyrimidine-6-thione;NSC 12888;
PSA 116.62000
LogP 1.09210

4(3H)-Pyrimidinethione,2,6-diamino- Specification

The 4(3H)-Pyrimidinethione,2,6-diamino-, with the CAS registry number 56-08-6, is also known as 2,6-Diaminopyrimidine-4(1H)-thione. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₄H₆N₄S and molecular weight is 142.18. What's more, its IUPAC name is called 2,6-Diamino-1H-pyrimidine-4-thione.

Physical properties about 4(3H)-Pyrimidinethione,2,6-diamino- are: (1)ACD/LogP: -1.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.8; (4)ACD/LogD (pH 7.4): -2.82; (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: 1; (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)Surface Tension: 77.1 dyne/cm; (17)Density: 1.78 g/cm³; (18)Flash Point: 128.7 °C; (19)Enthalpy of Vaporization: 52.84 kJ/mol; (20)Boiling Point: 289.1 °C at 760 mmHg; (21)Vapour Pressure: 0.00224 mmHg at 25 °C.

Uses of 4(3H)-Pyrimidinethione,2,6-diamino-: it is used to produce other chemicals. For example, it is used to produce 2,4-Diamino-5,6-dimethylthieno[2,3-d]pyrimidine. The reaction occurs with reagent NaOMe, solvent Ethane-1,2-diol and other condition of heating for 1 hour. The yield is 84 %.

4(3H)-Pyrimidinethione,2,6-diamino- is used to produce 2,4-Diamino-5,6-dimethylthieno[2,3-d]pyrimidine.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C/1/N=C(/N)NC(\N)=C\1
(2) InChI: InChI=1/C4H6N4S/c5-2-1-3(9)8-4(6)7-2/h1H,(H5,5,6,7,8,9)
(3) InChIKey: SOUUDGAWOJKDRN-UHFFFAOYAM

Product Name

2,4-DIAMINO-6-MERCAPTOPYRIMIDINE

4(3H)-Pyrimidinethione,2,6-diamino- Specification

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