6-aza-2-thiothymine

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:615-76-9

mdl number:mfcd00006458

einecs number:210-445-4

rtecs number:xz2853000

brn number:4861

pubchem number:24887968

physical property data

1. physical property data

1. melting point (ºc): 218-221ºc

toxicological data

none

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.

molecular structure data

5. molecular property data:

1, molar refractive index:35.40

2, molar volume (m³/mol):96.4

3, isotonic specific volume (90.2k ):290.8

4、 surface tension (dyne/cm): 82.8

5、 polarizability (10^-24cm³): 14.03

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -0.3

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

p>

4. number of rotatable chemical bonds: 0

5. number of tautomers: 9

6. topological molecule polar surface area 85.6

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 198

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

properties and stability:

no decomposition products may occur under normal temperatures and pressures.

storage method

storage:

seal the secret container and store it in a sealed main container in a cool place dry position.

synthesis method

none

purpose

none