4'-Thiothymidine

Base Information

• Chemical Name: 4'-Thiothymidine
• CAS No.: 134111-33-4
• Molecular Formula: C10H14N2O4S
• Molecular Weight: 258.298
• DSSTox Substance ID: DTXSID20928454
• Nikkaji Number: J424.134G
• Wikidata: Q76005828
• ChEMBL ID: CHEMBL445596
• Mol file: 134111-33-4.mol

Synonyms:2'-deoxy-4'-thiothymidine;4'-(methyl-(11C))thiothymidine;4'-thiothymidine

Chemical Property of 4'-Thiothymidine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 120.88000
• Density: 1.474g/cm³
• LogP: -0.38540
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 258.06742811
• Heavy Atom Count: 17
• Complexity: 385

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(S2)CO)O
• Isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](S2)CO)O

Technology Process of 4'-Thiothymidine

There total 21 articles about 4'-Thiothymidine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

1-[2-deoxy-3,5-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-4-thio-β-D-ribofuranosyl]thymine (869347-08-0) → 4'-thiothymidine (134111-33-4)

Guidance literature:

With tetrabutyl ammonium fluoride; acetic acid; In tetrahydrofuran; at 0 ℃; for 1.5h;

DOI:10.1021/jo051248f

Reference yield: 95.0%

1-[(2R,4S,5R)-4-(tert-Butyl-dimethyl-silanyloxy)-5-hydroxymethyl-tetrahydro-thiophen-2-yl]-5-methyl-1H-pyrimidine-2,4-dione (148504-80-7) → 4'-thiothymidine (134111-33-4)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran;

DOI:10.1246/cl.1993.255

Reference yield: 91.0%

5'-O-acetyl-4'-thiothymidine (160452-63-1) → 4'-thiothymidine (134111-33-4)

Guidance literature:

With potassium carbonate; In methanol; for 0.25h; Ambient temperature;

DOI:10.1080/15257779408012157

upstream raw materials:

3',5'-di-O-toluoyl-4'-thiothymidine

3',5'-di-O-benzyl-4'-thiothymidine

1-[(2R,4S,5R)-4-(tert-Butyl-dimethyl-silanyloxy)-5-hydroxymethyl-tetrahydro-thiophen-2-yl]-5-methyl-1H-pyrimidine-2,4-dione

5'-O-acetyl-4'-thiothymidine

Downstream raw materials:

1-{(2R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-tetrahydro-thiophen-2-yl}-5-methyl-1H-pyrimidine-2,4-dione

5'-O-trityl-4'-thiothymidine

thymin

1-{(2R,4S,5R)-5-[Bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-hydroxy-1,1-dioxo-tetrahydro-1λ⁶-thiophen-2-yl}-5-methyl-1H-pyrimidine-2,4-dione

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 134111-33-4 4'-thiothymidine

Send

Send

Metric Ton KG G Pound L ML

Send

Send