6-aza-2-thiothymine
structural formula
| business number | 06gp |
|---|---|
| molecular formula | c4h5n3os |
| molecular weight | 143.17 |
| label |
2-thio-6-azathymidine, 3,4-dihydro-6-methyl-3-thione-1,2,4-triazin-5(2h)-one, 2-thio-6-azathymine, 3,4-dihydro-6-methyl-3-thioxo-1,2,4-triazin-5(2h)-one |
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
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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
