2-Sulfanyl-1,3-benzoxazol-5-ol
TL;DR: 2-Sulfanyl-1,3-benzoxazol-5-ol (CAS 49559-83-3) is a chemical compound with molecular formula C7H5NO2S and molecular weight 167.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-3H-1,3-benzoxazole-2-thione
Also Known As: 2-sulfanyl-1,3-benzoxazol-5-ol, 2(3H)-Benzoxazolethione, 5-hydroxy-, 5-Hydroxy-2(3H)-benzoxazolethione, 5-hydroxy-3H-benzooxazole-2-thione, 5-hydroxy-3H-1,3-benzoxazole-2-thione
| Molecular Formula | C7H5NO2S |
|---|---|
| Molecular Weight | 167.00 g/mol |
| LogP | 2.19599 |
| Topological Polar Surface Area | 49.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 167.0041 |
| Heavy Atoms | 11 |
| Complexity | 442.88245 |
Chemical Identifiers
| CAS Number | 49559-83-3 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)NC(=S)O2 |
Product Overview
2-Sulfanyl-1,3-benzoxazol-5-ol (CAS 49559-83-3), with molecular formula C7H5NO2S and molecular weight 167.00 g/mol. IUPAC: 5-hydroxy-3H-1,3-benzoxazole-2-thione.
Chemical Property Profile of 2-Sulfanyl-1,3-benzoxazol-5-ol
Property Insights of 2-Sulfanyl-1,3-benzoxazol-5-ol
The XLogP value of 2.19599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Sulfanyl-1,3-benzoxazol-5-ol. With a topological polar surface area (TPSA) of 49.16 Ų, 2-Sulfanyl-1,3-benzoxazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Sulfanyl-1,3-benzoxazol-5-ol has 2 hydrogen bond donor(s) and 3 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 2-Sulfanyl-1,3-benzoxazol-5-ol?
The CAS number of 2-Sulfanyl-1,3-benzoxazol-5-ol is 49559-83-3.
What is the molecular formula of 2-Sulfanyl-1,3-benzoxazol-5-ol?
The molecular formula of 2-Sulfanyl-1,3-benzoxazol-5-ol is C7H5NO2S.
What is the molecular weight of 2-Sulfanyl-1,3-benzoxazol-5-ol?
The molecular weight of 2-Sulfanyl-1,3-benzoxazol-5-ol is 167.00 g/mol.
Where can I buy 2-Sulfanyl-1,3-benzoxazol-5-ol?
You can request a quote for 2-Sulfanyl-1,3-benzoxazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Sulfanyl-1,3-benzoxazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Sulfanyl-1,3-benzoxazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.