![3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one structure](/static/products/6783/67831-84-9.webp)
3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one
TL;DR: 3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one (CAS 67831-84-9) is a chemical compound with molecular formula C6H5N3OS and molecular weight 167.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Also Known As: 2-MERCAPTO-3H-PYRROLO[2,3-D]PYRIMIDIN-4(7H)-ONE, 7-Deaza-2-mercapto-hypoxanthine, Tofacitinib Impurity 113, Tofacitinib Impurity 206, Tofacitinib Impurity 281
| Molecular Formula | C6H5N3OS |
|---|---|
| Molecular Weight | 167.02 g/mol |
| LogP | 0.91379 |
| Topological Polar Surface Area | 64.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.01534 |
| Heavy Atoms | 11 |
| Complexity | 491.98697 |
Chemical Identifiers
| CAS Number | 67831-84-9 |
|---|---|
| SMILES | C1=CNC2=C1C(=O)NC(=S)N2 |
Product Overview
3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one (CAS 67831-84-9), with molecular formula C6H5N3OS and molecular weight 167.02 g/mol. IUPAC: 2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one
Property Insights of 3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one
The XLogP value of 0.91379 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one. The TPSA of 64.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one. Following Lipinski's Rule of Five, 3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one has 3 hydrogen bond donor(s) and 2 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 3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one?
The CAS number of 3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one is 67831-84-9.
What is the molecular formula of 3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one?
The molecular formula of 3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one is C6H5N3OS.
What is the molecular weight of 3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one?
The molecular weight of 3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one is 167.02 g/mol.
Where can I buy 3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one?
You can request a quote for 3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dihydro-2-thio-4H-pyrrolo[2,3-d]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.