Thymidine, 3'-S-ethyl-3'-thio-
TL;DR: Thymidine, 3'-S-ethyl-3'-thio- (CAS 70465-86-0) is a chemical compound with molecular formula C12H18N2O4S and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-4-ethylsulfanyl-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 3'-SEt-ddT, Thymidine, 3'-S-ethyl-3'-thio-, 3'-Ethylthio-2',3'-dideoxythymidine, 3'-S-Ethyl-3'-thiothymidine, 1-[(2R,4S,5R)-4-ethylsulfanyl-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
| Molecular Formula | C12H18N2O4S |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.09872 |
| Heavy Atoms | 19 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 70465-86-0 |
|---|---|
| SMILES | CCS[C@H]1C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)C |
| InChIKey | ZWPXGLDYWMZUND-KXUCPTDWSA-N |
Product Overview
Thymidine, 3'-S-ethyl-3'-thio- (CAS 70465-86-0), with molecular formula C12H18N2O4S and molecular weight 286.10 g/mol. IUPAC: 1-[(2R,4S,5R)-4-ethylsulfanyl-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of Thymidine, 3'-S-ethyl-3'-thio-
Property Insights of Thymidine, 3'-S-ethyl-3'-thio-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymidine, 3'-S-ethyl-3'-thio-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 3'-S-ethyl-3'-thio-. Following Lipinski's Rule of Five, Thymidine, 3'-S-ethyl-3'-thio- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thymidine, 3'-S-ethyl-3'-thio-?
The CAS number of Thymidine, 3'-S-ethyl-3'-thio- is 70465-86-0.
What is the molecular formula of Thymidine, 3'-S-ethyl-3'-thio-?
The molecular formula of Thymidine, 3'-S-ethyl-3'-thio- is C12H18N2O4S.
What is the molecular weight of Thymidine, 3'-S-ethyl-3'-thio-?
The molecular weight of Thymidine, 3'-S-ethyl-3'-thio- is 286.10 g/mol.
Where can I buy Thymidine, 3'-S-ethyl-3'-thio-?
You can request a quote for Thymidine, 3'-S-ethyl-3'-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine, 3'-S-ethyl-3'-thio-?
Yes, KEHONG BIO provides custom synthesis services for Thymidine, 3'-S-ethyl-3'-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.