Toluene diisocyanate manufacturer Knowledge 6-Methylthiopurine 6-(Methylthio)purine

6-Methylthiopurine 6-(Methylthio)purine

6-Methylmercaptopurine structural formula

Structural formula

Business number 013Z
Molecular formula C6H6N4S
Molecular weight 166.2
label

6-Methylmercaptopurine,

6-(Methylthio)purine,

6-(methylthio)purine,

6-Methylmercaptopurine

Numbering system

CAS number:50-66-8

MDL number:MFCD00005576

EINECS number:200-057-3

RTECS number:UO8976000

BRN number:7695

PubChem ID:None

Physical property data

1. Properties: Uncertain

2. Density (g/mL, 25/4℃): Uncertain

3. Relative vapor density (g/mL, air =1): Uncertain

4. Melting point (ºC): 219-223 °C

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 5.2 kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25 ºC) : Uncertain

12. Saturated vapor pressure (kPa, 60 ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain OK

17. Explosion upper limit (%, V/V): Uncertain

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: Uncertain

Toxicological data

1. Acute toxicity: mouse parenteral LD50: 115mg/kg; mouse LD10: 94mg/kg

Ecological data

None

Molecular structure data

1. Molar refractive index: 44.26

2. Molar volume (cm3/mol): 112.8

3. Isotonic specific volume (90.2K ): 348.9

4. Surface tension (dyne/cm): 91.4

5. Polarizability (10-24cm3): 17.54

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 4

6. Topological molecule polar surface area 79.8

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 143

10. Number of isotope atoms: 0

11. Determined number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

None

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.allhdi.com/archives/39304

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