3'-Thiothymidine
TL;DR: 3'-Thiothymidine (CAS 126862-95-1) is a chemical compound with molecular formula C10H14N2O4S and molecular weight 258.0674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-Thiothymidine, Thymidine, 3'-thio-, 3/'-thiothymidine, Thymidine,3'-thio-, 3'-Mercapto-3'-deoxythymidine
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H14N2O4S |
| Molecular Weight | 258.0674 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 79.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0674 Da |
| Heavy Atoms | 17 |
| Complexity | 385.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)S |
| InChIKey | LNRCBWCMVHSMBJ-GJMOJQLCSA-N |
Chemical Property Profile of 3'-Thiothymidine
Property Insights of 3'-Thiothymidine
The XLogP value of -0.3 indicates that 3'-Thiothymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-Thiothymidine. Following Lipinski's Rule of Five, 3'-Thiothymidine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3'-Thiothymidine?
The CAS number of 3'-Thiothymidine is 126862-95-1.
What is the molecular formula of 3'-Thiothymidine?
The molecular formula of 3'-Thiothymidine is C10H14N2O4S.
What is the molecular weight of 3'-Thiothymidine?
The molecular weight of 3'-Thiothymidine is 258.0674 g/mol.
Where can I buy 3'-Thiothymidine?
You can request a quote for 3'-Thiothymidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-Thiothymidine?
Yes, CoreyChem provides custom synthesis services for 3'-Thiothymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.