![Pyrrolo[2,3-d]pyrimidine-4-thione structure](/static/products/1421/1421-27-8.webp)
Pyrrolo[2,3-d]pyrimidine-4-thione
TL;DR: Pyrrolo[2,3-d]pyrimidine-4-thione (CAS 1421-27-8) is a chemical compound with molecular formula C6H5N3S and molecular weight 151.02042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
Also Known As: Pyrrolo[2,3-d]pyrimidine-4-thione, 6-Thioxo-7-deazahypoxanthine, NIOSH/UY9410000, 4H-Pyrrolo[2, 1,7-dihydro-, 4-Mercaptopyrrolo(2,3-d)pyrimidine
Technical Specifications
| Molecular Formula | C6H5N3S |
| Molecular Weight | 151.02042 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 72.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.02042 Da |
| Heavy Atoms | 10 |
| Complexity | 189.0 |
| SMILES | C1=CNC2=C1C(=S)N=CN2 |
| InChIKey | HTDPDLVWFWOIBZ-UHFFFAOYSA-N |
Chemical Property Profile of Pyrrolo[2,3-d]pyrimidine-4-thione
Property Insights of Pyrrolo[2,3-d]pyrimidine-4-thione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolo[2,3-d]pyrimidine-4-thione. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrolo[2,3-d]pyrimidine-4-thione. Following Lipinski's Rule of Five, Pyrrolo[2,3-d]pyrimidine-4-thione has 2 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Pyrrolo[2,3-d]pyrimidine-4-thione?
The CAS number of Pyrrolo[2,3-d]pyrimidine-4-thione is 1421-27-8.
What is the molecular formula of Pyrrolo[2,3-d]pyrimidine-4-thione?
The molecular formula of Pyrrolo[2,3-d]pyrimidine-4-thione is C6H5N3S.
What is the molecular weight of Pyrrolo[2,3-d]pyrimidine-4-thione?
The molecular weight of Pyrrolo[2,3-d]pyrimidine-4-thione is 151.02042 g/mol.
Where can I buy Pyrrolo[2,3-d]pyrimidine-4-thione?
You can request a quote for Pyrrolo[2,3-d]pyrimidine-4-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pyrrolo[2,3-d]pyrimidine-4-thione?
Yes, CoreyChem provides custom synthesis services for Pyrrolo[2,3-d]pyrimidine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.