5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol
TL;DR: 5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol (CAS 155559-80-1) is a chemical compound with molecular formula C9H9NO3S2 and molecular weight 243.00238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-ethylsulfonyl-3H-1,3-benzoxazole-2-thione
Also Known As: 5-(ethylsulfonyl)-1,3-benzoxazole-2-thiol, 5-(ethanesulfonyl)-1,3-benzoxazole-2-thiol, 5-Ethanesulfonyl-benzooxazole-2-thiol, 2(3H)-Benzoxazolethione, 5-(ethylsulfonyl)-, 5-ethylsulfonyl-3H-1,3-benzoxazole-2-thione
Technical Specifications
| Molecular Formula | C9H9NO3S2 |
| Molecular Weight | 243.00238 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.00238 Da |
| Heavy Atoms | 15 |
| Complexity | 360.0 |
| SMILES | CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2 |
| InChIKey | NGYFZFOTGFAZBR-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol
Property Insights of 5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol. Following Lipinski's Rule of Five, 5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol?
The CAS number of 5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol is 155559-80-1.
What is the molecular formula of 5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol?
The molecular formula of 5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol is C9H9NO3S2.
What is the molecular weight of 5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol?
The molecular weight of 5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol is 243.00238 g/mol.
Where can I buy 5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol?
You can request a quote for 5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(Ethylsulfonyl)-1,3-benzoxazole-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.