Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

9H-Purine,6-(heptylthio)-

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

9H-Purine,6-(heptylthio)-

EINECS 280-364-7
CAS No. 83277-80-9 Density 1.18 g/cm3
PSA 79.76000 LogP 3.41540
Solubility N/A Melting Point N/A
Formula C12H18N4S Boiling Point 473.7 °C at 760 mmHg
Molecular Weight 250.368 Flash Point 240.3 °C
Transport Information N/A Appearance crystalline
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 83277-80-9 (6-N-HEPTYLMERCAPTOPURINE) Hazard Symbols N/A
Synonyms

1H-Purine,6-(heptylthio)- (9CI);Purine, 6-(heptylthio)- (6CI);6-n-Heptylmercaptopurine;NSC 22778;

 

9H-Purine,6-(heptylthio)- Specification

The 9H-Purine,6-(heptylthio)-, with the CAS registry number 83277-80-9, is also known as 6-N-Heptylmercaptopurine. It belongs to the product categories of Biochemicals and Reagents; Nucleoside Analogs; Nucleosides, Nucleotides, Oligonucleotides. Its EINECS registry number is 280-364-7. This chemical's molecular formula is C12H18N4S and molecular weight is 250.36. What's more, both its IUPAC name and systematic name are the same which is called 6-Heptylsulfanyl-7H-purine. It is crystalline.

Physical properties about 9H-Purine,6-(heptylthio)- are: (1) ACD/LogP: 3.30; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.3; (4) ACD/LogD (pH 7.4): 3.27; (5) ACD/BCF (pH 5.5): 190.73; (6) ACD/BCF (pH 7.4): 177.17; (7) ACD/KOC (pH 5.5): 1491.75; (8) ACD/KOC (pH 7.4): 1385.69; (9) #H bond acceptors: 4; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 7; (12) Polar Surface Area: 68.9 Å2; (13) Index of Refraction: 1.598; (14) Molar Refractivity: 72.05 cm3; (15) Molar Volume: 211.1 cm3; (16) Surface Tension: 60.6 dyne/cm; (17) Density: 1.18 g/cm3; (18) Flash Point: 240.3 °C; (19) Enthalpy of Vaporization: 70.88 kJ/mol; (20) Boiling Point: 473.7 °C at 760 mmHg; (21) Vapour Pressure: 1.1E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c(SCCCCCCC)c2c(nc1)ncn2
(2) InChI: InChI=1/C12H18N4S/c1-2-3-4-5-6-7-17-12-10-11(14-8-13-10)15-9-16-12/h8-9H,2-7H2,1H3,(H,13,14,15,16)
(3) InChIKey: AJMDBPAFRPBUDE-UHFFFAOYAY

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 83277-80-9