1-(4-Thio-
TL;DR: 1-(4-Thio- (CAS 222192-00-9) is a chemical compound with molecular formula C9H12N2O5S and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
Also Known As: 1-(4-Thio-, A-L-arabinofuranosyl)-2,4(1H,3H)-pyrimidinedione, 1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione, 1-((2S,3R,4R,5S)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-thiophen-2-yl)-1H-pyrimidine-2,4-dione, 1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidine-2,4-dione
| Molecular Formula | C9H12N2O5S |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.0467 |
| Heavy Atoms | 17 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 222192-00-9 |
|---|---|
| SMILES | C1=CN(C(=O)NC1=O)[C@@H]2[C@@H]([C@H]([C@@H](S2)CO)O)O |
| InChIKey | MUSPKJVFRAYWAR-JPCMASIJSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Thio- (CAS 222192-00-9), with molecular formula C9H12N2O5S and molecular weight 260.05 g/mol. IUPAC: 1-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione.
Chemical Property Profile of 1-(4-Thio-
Property Insights of 1-(4-Thio-
The XLogP value of -1.2 indicates that 1-(4-Thio- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Thio-. Following Lipinski's Rule of Five, 1-(4-Thio- has 4 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 1-(4-Thio-?
The CAS number of 1-(4-Thio- is 222192-00-9.
What is the molecular formula of 1-(4-Thio-?
The molecular formula of 1-(4-Thio- is C9H12N2O5S.
What is the molecular weight of 1-(4-Thio-?
The molecular weight of 1-(4-Thio- is 260.05 g/mol.
Where can I buy 1-(4-Thio-?
You can request a quote for 1-(4-Thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Thio-?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.