1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione

Base Information

Chemical Name:1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione
CAS No.:134111-35-6
Molecular Formula:C10H14N2O4S
Molecular Weight:258.298
Hs Code.:
Nikkaji Number:J424.136C
ChEMBL ID:CHEMBL463660
Mol file:134111-35-6.mol

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

Suppliers and Price of 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
4-Thiothymidine
50mg
$ 307.00

Medical Isotopes, Inc.
4-Thiothymidine 98%purewithdatedHPLCradiochromatogram
5 mg
$ 935.00

Medical Isotopes, Inc.
4-Thiothymidine 98%purewithdatedHPLCradiochromatogram
1 mg
$ 655.00

Total 6 raw suppliers

Chemical Property of 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione

Chemical Property:

Melting Point:129-130o C
PSA：120.62000
LogP:-0.79770
Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere
Solubility.:Water (Slightly, Sonicated)
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:

97% ^*data from raw suppliers

4-Thiothymidine ^*data from reagent 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 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione

There total 9 articles about 1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methylpyrimidine-2,4-dione 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: 80.0%

: 134111-38-9
1-(2-deoxy-4-thio-3,5-di-O-toluoyl-α-D-erythro-pentofuranosyl)thymine

: 134111-35-6
1-(2-deoxy-4-thio-α-D-ribofuranosyl)thymine

Guidance literature:: With sodium methylate; In methanol; for 3h; Ambient temperature;
DOI:10.1021/jm00112a007

Reference yield:

: 134700-17-7
α-3',5'-di-O-benzyl-4'-thiothymidine

: 134111-35-6
1-(2-deoxy-4-thio-α-D-ribofuranosyl)thymine

: 134938-98-0
α-3'-O-benzyl-4'-thiothymidine

Guidance literature:: With methanol; boron trichloride; Yield given. Multistep reaction; 1.) CH₂Cl₂, -78 deg C, 5 h, 2.) CH₂Cl₂, from -78 deg C to RT, 1 h;
DOI:10.1021/jm00113a016