2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one
TL;DR: 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one (CAS 10021-35-9) is a chemical compound with molecular formula C8H5NO2S and molecular weight 179.0041 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-sulfanylidene-1,3-benzoxazin-4-one
Also Known As: 2-sulfanylidene-1,3-benzoxazin-4-one, 2H-1,3-Benzoxazine-2,4(3H)-dione, 2-thio-, 2,3-Dihydro-1,3-benzoxazine-4H-2-thione-4-one, 2-Thio-2H-1,3-benzoxazine-2,4(3H)-dione, 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one
Technical Specifications
| Molecular Formula | C8H5NO2S |
| Molecular Weight | 179.0041 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 70.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.0041 Da |
| Heavy Atoms | 12 |
| Complexity | 229.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)NC(=S)O2 |
| InChIKey | XCNLSOGMJQILRA-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one
Property Insights of 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one. Following Lipinski's Rule of Five, 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one?
The CAS number of 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one is 10021-35-9.
What is the molecular formula of 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one?
The molecular formula of 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one is C8H5NO2S.
What is the molecular weight of 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one?
The molecular weight of 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one is 179.0041 g/mol.
Where can I buy 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one?
You can request a quote for 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one?
Yes, CoreyChem provides custom synthesis services for 2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.