6H-Purin-6-one,2-amino-1,7,8,9-tetrahydro-8-thioxo- supplier

Name
2-AMINO-6-HYDROXY-8-MERCAPTOPURINE
EINECS 228-686-9
CAS No. 6324-72-7
Article Data3
CAS DataBase
Density 2.36 g/cm³
Solubility
Melting Point >400oC
Formula C₅H₅N₅OS
Boiling Point 335.8 °C at 760 mmHg
Molecular Weight 183.194
Flash Point 156.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Amino-8-thioxo-3, 7, 8, 9-tetrahydro-6H-purin-6-one;
PSA 135.44000
LogP 0.47220

6H-Purin-6-one,2-amino-1,7,8,9-tetrahydro-8-thioxo- Specification

The 6H-Purin-6-one,2-amino-1, 7, 8, 9-tetrahydro-8-thioxo-, with the CAS registry number 6324-72-7, is also known as 2-Amino-8-thioxo-3, 7, 8, 9-tetrahydro-6H-purin-6-one. Its EINECS registry number is 228-686-9. This chemical's molecular formula is C₅H₅N₅OS and molecular weight is 183.1911. What's more, its IUPAC name is 2-Amino-8-sulfanylidene-7, 9-dihydro-3H-purin-6-one.

Physical properties about 6H-Purin-6-one,2-amino-1, 7, 8, 9-tetrahydro-8-thioxo- are: (1)ACD/LogP: -2.05; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2.05; (4)ACD/LogD (pH 7.4): -2.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.81; (8)ACD/KOC (pH 7.4): 1.76; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 74.48 Å²; (13)Index of Refraction: 2.166; (14)Molar Refractivity: 42.79 cm³; (15)Molar Volume: 77.5 cm³; (16)Polarizability: 16.96×10^-24 cm³; (17)Surface Tension: 123.2 dyne/cm; (18)Density: 2.36 g/cm³; (19)Flash Point: 156.9 °C; (20)Enthalpy of Vaporization: 57.89 kJ/mol; (21)Boiling Point: 335.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000117 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C2NC=1N\C(=N/C(=O)C=1N2)N
(2) InChI: InChI=1/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)
(3) InChIKey: JHEKNTQSGTVPAO-UHFFFAOYAC

Product Name

2-AMINO-6-HYDROXY-8-MERCAPTOPURINE

6H-Purin-6-one,2-amino-1,7,8,9-tetrahydro-8-thioxo- Specification

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