8H-Purine-8-thione,6-amino-7,9-dihydro- supplier

Name
6-amino-1,7-dihydro-8H-purine-8-thione
EINECS 230-974-4
CAS No. 7390-62-7
Article Data16
CAS DataBase
Density 1.72 g/cm³
Solubility
Melting Point 370-375°C
Formula C₅H₅N₅S
Boiling Point 395.1 °C at 760 mmHg
Molecular Weight 167.194
Flash Point 192.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 8H-Purine-8-thione,6-amino-1,7-dihydro- (9CI);Purine-8-thiol, 6-amino- (7CI,8CI);6-Amino-8-mercaptopurine;6-Amino-8-purinethiol;8-Mercaptoadenine;Meradin;Meradine;NSC 22721;6-amino-7,9-dihydro-8H-purine-8-thione;6-amino-7,9-dihydropurine-8-thione;
PSA 115.47000
LogP 1.17890

8H-Purine-8-thione,6-amino-7,9-dihydro- Specification

The 8H-Purine-8-thione,6-amino-7,9-dihydro-, with the CAS registry number 7390-62-7 and EINECS registry number 230-974-4, has the systematic name of 6-amino-7,9-dihydro-8H-purine-8-thione. It belongs to the following product categories: Chemical Amines: Amines: Bases & Related Reagents: Nucleotides: Sulfur & Selenium Compounds. And the molecular formula of the chemical is C₅H₅N₅S.

The characteristics of 8H-Purine-8-thione,6-amino-7,9-dihydro- are as followings: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.49; (4)ACD/LogD (pH 7.4): -0.49; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.65; (8)ACD/KOC (pH 7.4): 12.73; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 67.59 Å²; (13)Index of Refraction: 1.837; (14)Molar Refractivity: 42.96 cm³; (15)Molar Volume: 97.1 cm³; (16)Polarizability: 17.03×10^-24cm³; (17)Surface Tension: 140.5 dyne/cm; (18)Density: 1.72 g/cm³; (19)Flash Point: 192.8 °C; (20)Enthalpy of Vaporization: 64.53 kJ/mol; (21)Boiling Point: 395.1 °C at 760 mmHg; (22)Vapour Pressure: 1.88E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: S=C2Nc1c(ncnc1N2)N
(2)InChI: InChI=1/C5H5N5S/c6-3-2-4(8-1-7-3)10-5(11)9-2/h1H,(H4,6,7,8,9,10,11)
(3)InChIKey: BHVOFCPOXNYVCE-UHFFFAOYAX

Product Name

6-amino-1,7-dihydro-8H-purine-8-thione

8H-Purine-8-thione,6-amino-7,9-dihydro- Specification

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