Thymidine, 3'-thio-, 3'-cyanate
TL;DR: Thymidine, 3'-thio-, 3'-cyanate (CAS 108895-44-9) is a chemical compound with molecular formula C11H13N3O4S and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] thiocyanate
Also Known As: 3'-SCN-ddT, Thymidine, 3'-thio-, 3'-cyanate, 3'-Thiocyanato-2',3'-dideoxythymidine, 3'-S-Cyano-3'-thiothymidine, 3'-thiocyano-3'-deoxythymidine
| Molecular Formula | C11H13N3O4S |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.06268 |
| Heavy Atoms | 19 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 108895-44-9 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)SC#N |
| InChIKey | XOIJFPHQOPQRER-HRDYMLBCSA-N |
Product Overview
Thymidine, 3'-thio-, 3'-cyanate (CAS 108895-44-9), with molecular formula C11H13N3O4S and molecular weight 283.06 g/mol. IUPAC: [(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] thiocyanate.
Chemical Property Profile of Thymidine, 3'-thio-, 3'-cyanate
Property Insights of Thymidine, 3'-thio-, 3'-cyanate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thymidine, 3'-thio-, 3'-cyanate. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thymidine, 3'-thio-, 3'-cyanate. Following Lipinski's Rule of Five, Thymidine, 3'-thio-, 3'-cyanate has 2 hydrogen bond donor(s) and 6 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'-thio-, 3'-cyanate?
The CAS number of Thymidine, 3'-thio-, 3'-cyanate is 108895-44-9.
What is the molecular formula of Thymidine, 3'-thio-, 3'-cyanate?
The molecular formula of Thymidine, 3'-thio-, 3'-cyanate is C11H13N3O4S.
What is the molecular weight of Thymidine, 3'-thio-, 3'-cyanate?
The molecular weight of Thymidine, 3'-thio-, 3'-cyanate is 283.06 g/mol.
Where can I buy Thymidine, 3'-thio-, 3'-cyanate?
You can request a quote for Thymidine, 3'-thio-, 3'-cyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thymidine, 3'-thio-, 3'-cyanate?
Yes, KEHONG BIO provides custom synthesis services for Thymidine, 3'-thio-, 3'-cyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.