InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9
TL;DR: InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9 (CAS 102569-70-0) is a chemical compound with molecular formula C6H5N3O2S and molecular weight 183.01025 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-methylsulfanyl-6-oxo-1,3-oxazine-5-carbonitrile
Also Known As: 2-amino-4-methylsulfanyl-6-oxo-1,3-oxazine-5-carbonitrile, 2-amino-4-(methylthio)-6-oxo-6H-1,3-oxazine-5-carbonitrile
Technical Specifications
| Molecular Formula | C6H5N3O2S |
| Molecular Weight | 183.01025 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 183.01025 Da |
| Heavy Atoms | 12 |
| Complexity | 336.0 |
| SMILES | CSC1=C(C(=O)OC(=N1)N)C#N |
| InChIKey | UOWFOHSDCUOIRV-UHFFFAOYSA-N |
Chemical Property Profile of InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9
Property Insights of InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9
The XLogP value of -0.1 indicates that InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9. Following Lipinski's Rule of Five, InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9?
The CAS number of InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9 is 102569-70-0.
What is the molecular formula of InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9?
The molecular formula of InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9 is C6H5N3O2S.
What is the molecular weight of InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9?
The molecular weight of InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9 is 183.01025 g/mol.
Where can I buy InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9?
You can request a quote for InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9?
Yes, CoreyChem provides custom synthesis services for InChI=1/C6H5N3O2S/c1-12-4-3(2-7)5(10)11-6(8)9-4/h1H3,(H2,8,9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.