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