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5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
TL;DR: 5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione (CAS 22277-04-9) is a chemical compound with molecular formula C6H4N4O2S and molecular weight 196.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
Also Known As: 5-nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione, 5-nitro-1H-pyrrolo[2,3-d]pyrimidine-4(7H)-thione, 4H-Pyrrolo[2,3-d]pyrimidine-4-thione, 3,7-dihydro-5-nitro-, 5-Nitro-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidine-4-thione, 5-Nitro-3,4-dihydro-7H-pyrrolo<2.3-d>pyrimidin-4-thion
| Molecular Formula | C6H4N4O2S |
|---|---|
| Molecular Weight | 196.01 g/mol |
| LogP | 1.52869 |
| Topological Polar Surface Area | 87.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.0055 |
| Heavy Atoms | 13 |
| Complexity | 528.65894 |
Chemical Identifiers
| CAS Number | 22277-04-9 |
|---|---|
| SMILES | C1=C(C2=C(N1)NC=NC2=S)[N+](=O)[O-] |
Product Overview
5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione (CAS 22277-04-9), with molecular formula C6H4N4O2S and molecular weight 196.01 g/mol. IUPAC: 5-nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione.
Chemical Property Profile of 5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
Property Insights of 5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione
The XLogP value of 1.52869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione. The TPSA of 87.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione. Following Lipinski's Rule of Five, 5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione has 2 hydrogen bond donor(s) and 4 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 5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione?
The CAS number of 5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione is 22277-04-9.
What is the molecular formula of 5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione?
The molecular formula of 5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione is C6H4N4O2S.
What is the molecular weight of 5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione?
The molecular weight of 5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione is 196.01 g/mol.
Where can I buy 5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione?
You can request a quote for 5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-1,7-dihydropyrrolo[2,3-d]pyrimidine-4-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.