Thymidine, 3'-(O-phenyl carbonothioate)
TL;DR: Thymidine, 3'-(O-phenyl carbonothioate) (CAS 115913-90-1) is a chemical compound with molecular formula C17H18N2O6S and molecular weight 378.08856 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenoxycarbothioyloxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-O-Ph-SC=O-2'-T, 3'-O-Phenoxythiocarbonyl-thymidine, Thymidine, 3'-(O-phenyl carbonothioate), 3'-O-(Phenoxycarbonothioyl)thymidine, 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-phenoxycarbothioyloxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Technical Specifications
| Molecular Formula | C17H18N2O6S |
| Molecular Weight | 378.08856 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.08856 Da |
| Heavy Atoms | 26 |
| Complexity | 604.0 |
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)OC(=S)OC3=CC=CC=C3 |
| InChIKey | ADBKNHRMMFIKJX-BFHYXJOUSA-N |
Chemical Property Profile of Thymidine, 3'-(O-phenyl carbonothioate)
Property Insights of Thymidine, 3'-(O-phenyl carbonothioate)
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymidine, 3'-(O-phenyl carbonothioate). The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 3'-(O-phenyl carbonothioate). Following Lipinski's Rule of Five, Thymidine, 3'-(O-phenyl carbonothioate) has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Thymidine, 3'-(O-phenyl carbonothioate)?
The CAS number of Thymidine, 3'-(O-phenyl carbonothioate) is 115913-90-1.
What is the molecular formula of Thymidine, 3'-(O-phenyl carbonothioate)?
The molecular formula of Thymidine, 3'-(O-phenyl carbonothioate) is C17H18N2O6S.
What is the molecular weight of Thymidine, 3'-(O-phenyl carbonothioate)?
The molecular weight of Thymidine, 3'-(O-phenyl carbonothioate) is 378.08856 g/mol.
Where can I buy Thymidine, 3'-(O-phenyl carbonothioate)?
You can request a quote for Thymidine, 3'-(O-phenyl carbonothioate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thymidine, 3'-(O-phenyl carbonothioate)?
Yes, CoreyChem provides custom synthesis services for Thymidine, 3'-(O-phenyl carbonothioate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.