![1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone structure](/static/products/1392/13925-29-6.webp)
1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone
TL;DR: 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone (CAS 13925-29-6) is a chemical compound with molecular formula C8H9N3OS and molecular weight 195.04663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone
Also Known As: 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone, 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-, 1-(4-Sulfanylidene-1,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)ethan-1-one
Technical Specifications
| Molecular Formula | C8H9N3OS |
| Molecular Weight | 195.04663 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 76.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.04663 Da |
| Heavy Atoms | 13 |
| Complexity | 345.0 |
| SMILES | CC(=O)N1CC2=C(C1)NC=NC2=S |
| InChIKey | DGBJPPJUYJFNOH-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone
Property Insights of 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone
The XLogP value of -1.2 indicates that 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone. Following Lipinski's Rule of Five, 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
The CAS number of 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone is 13925-29-6.
What is the molecular formula of 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
The molecular formula of 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone is C8H9N3OS.
What is the molecular weight of 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
The molecular weight of 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone is 195.04663 g/mol.
Where can I buy 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
You can request a quote for 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone?
Yes, CoreyChem provides custom synthesis services for 1-(4-sulfanylidene-5,7-dihydro-1H-pyrrolo[3,4-d]pyrimidin-6-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.