6-aza-2-thiothymine

6-aza-2-thiothymine structural formula

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

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

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.allhdi.com/archives/48176

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