C9H5N3O2S
TL;DR: C9H5N3O2S (CAS 501357-90-0) is a chemical compound with molecular formula C9H5N3O2S and molecular weight 219.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
Also Known As: 8-Thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione, 1H-pyrido[2,3]thieno[2,4-b]pyrimidine-2,4-dione, Pyrido[3',2':4,5]thieno[3,2-d]pyriMidine-2,4(1H,3H)-dione, 1H-Pyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4-dione, Pyrido[3 inverted exclamation mark ,2 inverted exclamation mark :4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C9H5N3O2S |
|---|---|
| Molecular Weight | 219.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 99.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.01025 |
| Heavy Atoms | 15 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 501357-90-0 |
|---|---|
| SMILES | C1=CC2=C(N=C1)SC3=C2NC(=O)NC3=O |
| InChIKey | SOWCVDMRPMZWHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C9H5N3O2S (CAS 501357-90-0), with molecular formula C9H5N3O2S and molecular weight 219.01 g/mol. IUPAC: 8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione.
Chemical Property Profile of C9H5N3O2S
Property Insights of C9H5N3O2S
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C9H5N3O2S. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C9H5N3O2S. Following Lipinski's Rule of Five, C9H5N3O2S 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 C9H5N3O2S?
The CAS number of C9H5N3O2S is 501357-90-0.
What is the molecular formula of C9H5N3O2S?
The molecular formula of C9H5N3O2S is C9H5N3O2S.
What is the molecular weight of C9H5N3O2S?
The molecular weight of C9H5N3O2S is 219.01 g/mol.
Where can I buy C9H5N3O2S?
You can request a quote for C9H5N3O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H5N3O2S?
Yes, KEHONG BIO provides custom synthesis services for C9H5N3O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.