2-Thiocytidine
TL;DR: 2-Thiocytidine (CAS 13239-97-9) is a chemical compound with molecular formula C9H13N3O4S and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione
Also Known As: 2-Thiocytidine, Cytidine, 2-thio-, (-)-2-thiocytidine, beta-2-thioribocytidine, 2-Thio-D-cytidine dihydrate
| Molecular Formula | C9H13N3O4S |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | -1.19371 |
| Topological Polar Surface Area | 113.76 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.06268 |
| Heavy Atoms | 17 |
| Complexity | 465.79935 |
Chemical Identifiers
| CAS Number | 13239-97-9 |
|---|---|
| SMILES | C1=CN(C(=S)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O |
Product Overview
2-Thiocytidine (CAS 13239-97-9), with molecular formula C9H13N3O4S and molecular weight 259.06 g/mol. IUPAC: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2-thione.
Chemical Property Profile of 2-Thiocytidine
Property Insights of 2-Thiocytidine
The XLogP value of -1.19371 indicates that 2-Thiocytidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thiocytidine. Following Lipinski's Rule of Five, 2-Thiocytidine has 4 hydrogen bond donor(s) and 7 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-Thiocytidine?
The CAS number of 2-Thiocytidine is 13239-97-9.
What is the molecular formula of 2-Thiocytidine?
The molecular formula of 2-Thiocytidine is C9H13N3O4S.
What is the molecular weight of 2-Thiocytidine?
The molecular weight of 2-Thiocytidine is 259.06 g/mol.
Where can I buy 2-Thiocytidine?
You can request a quote for 2-Thiocytidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiocytidine?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiocytidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.