4-amino-2-mercaptopyrimidine
Structural formula
| Business number | 049N |
|---|---|
| Molecular formula | C4H5N3S |
| Molecular weight | 127.17 |
| label |
4-amino-2-mercaptopyrimidine, 2-mercapto-4-aminopyrimidine, THIOCYTOSINE, 2(1H)-Pyrimidinethione, 4-amino-, 2(1H)-Pyrimidinone, 4-aminothio-, 4-amino-2(1h)-pyrimidinethion, 4-Amino-2(1H)-pyrimidinethione, Cytosine, 2-thio-, Cytosine, thio-, 2-THIOCYTOSINE |
Numbering system
CAS number:333-49-3
MDL number:MFCD00057341
EINECS number:206-374-3
RTECS number:UW0520000
BRN number:112435
PubChem ID:None
Physical property data
一 , physical property data
Traits ：Not available
Density (g/mL,25/4℃): Not available
Relative Vapor density (g/mL, air=1)：Not available
Melting point (ºC): 285-290
Boiling point (ºC, normal pressure):Not available
Boiling point (ºC, 5.2kPa): Not available
Refraction Rate: Not available
Flash Point (ºC): Not available
Optical rotation (º): Not available
Spontaneous combustion Point or ignition temperature (ºC): Not available
Steam Pressure (kPa, 25ºC): Not available
saturated Vapor pressure (kPa, 60ºC): Not available
Burn Heat (KJ/mol):Not available
Critical Temperature (ºC): Not available
Critical Pressure (KPa): Not available
oil and water Log value of the (octanol/water) partition coefficient:Not available
Explosion Upper limit (%, V/V): Not available
Explosion Lower limit (%, V/V): Not available
Solubility:Not available
Toxicological data
Two , Toxicological data:
Acute Toxicity:Not available .
Ecological data
Three , Ecological data:
1 ,Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
1. Molar refractive index: 33.77
2. Molar Volume (m3/mol）：82.9
3. isotonic specific volume (90.2K):229.4
4. Surface Tension ( dyne/cm):58.5
5. Polarizability(10-24cm3):13.38
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 9
6. Topological molecule polar surface area 82.5
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 170
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
