2'-Methylidene-4'-thiothymidine
TL;DR: 2'-Methylidene-4'-thiothymidine (CAS 189575-37-9) is a chemical compound with molecular formula C11H14N2O4S and molecular weight 270.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylidenethiolan-2-yl]-5-methylpyrimidine-2,4-dione
Also Known As: 2'-Methylidene-4'-thiothymidine, Thymidine,2'-methylene-4'-thio-, Thymidine, 2'-methylene-4'-thio-, 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylene-tetrahydrothiophen-2-yl]-5-methyl-pyrimidine-2,4-dione, 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylidenethiolan-2-yl]-5-methylpyrimidine-2,4-dione
| Molecular Formula | C11H14N2O4S |
|---|---|
| Molecular Weight | 270.07 g/mol |
| LogP | -0.63158 |
| Topological Polar Surface Area | 95.32 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.0674 |
| Heavy Atoms | 18 |
| Complexity | 591.4414 |
Chemical Identifiers
| CAS Number | 189575-37-9 |
|---|---|
| SMILES | CC1=CN(C(=O)NC1=O)[C@H]2C(=C)[C@@H]([C@H](S2)CO)O |
Product Overview
2'-Methylidene-4'-thiothymidine (CAS 189575-37-9), with molecular formula C11H14N2O4S and molecular weight 270.07 g/mol. IUPAC: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylidenethiolan-2-yl]-5-methylpyrimidine-2,4-dione.
Chemical Property Profile of 2'-Methylidene-4'-thiothymidine
Property Insights of 2'-Methylidene-4'-thiothymidine
The XLogP value of -0.63158 indicates that 2'-Methylidene-4'-thiothymidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Methylidene-4'-thiothymidine. Following Lipinski's Rule of Five, 2'-Methylidene-4'-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
Frequently Asked Questions
What is the CAS number of 2'-Methylidene-4'-thiothymidine?
The CAS number of 2'-Methylidene-4'-thiothymidine is 189575-37-9.
What is the molecular formula of 2'-Methylidene-4'-thiothymidine?
The molecular formula of 2'-Methylidene-4'-thiothymidine is C11H14N2O4S.
What is the molecular weight of 2'-Methylidene-4'-thiothymidine?
The molecular weight of 2'-Methylidene-4'-thiothymidine is 270.07 g/mol.
Where can I buy 2'-Methylidene-4'-thiothymidine?
You can request a quote for 2'-Methylidene-4'-thiothymidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Methylidene-4'-thiothymidine?
Yes, KEHONG BIO provides custom synthesis services for 2'-Methylidene-4'-thiothymidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.