4-Hydroxy-2(3H)-benzoxazolethione
TL;DR: 4-Hydroxy-2(3H)-benzoxazolethione (CAS 1198-51-2) 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.
4-hydroxy-3H-1,3-benzoxazole-2-thione
Also Known As: 4-Hydroxybenzooxazole-2(3H)-thione, 2-Mercaptobenzoxazol-4-ol, 4-Hydroxy-2-benzoxazolethiol, 4-Hydroxybenzo[d]oxazole-2(3H)-thione, 2-BENZOXAZOLETHIOL, 4-HYDROXY-
| 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 | 1198-51-2 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)OC(=S)N2)O |
Product Overview
4-Hydroxy-2(3H)-benzoxazolethione (CAS 1198-51-2), with molecular formula C7H5NO2S and molecular weight 167.00 g/mol. IUPAC: 4-hydroxy-3H-1,3-benzoxazole-2-thione.
Chemical Property Profile of 4-Hydroxy-2(3H)-benzoxazolethione
Property Insights of 4-Hydroxy-2(3H)-benzoxazolethione
The XLogP value of 2.19599 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-2(3H)-benzoxazolethione. With a topological polar surface area (TPSA) of 49.16 Ų, 4-Hydroxy-2(3H)-benzoxazolethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-2(3H)-benzoxazolethione 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 4-Hydroxy-2(3H)-benzoxazolethione?
The CAS number of 4-Hydroxy-2(3H)-benzoxazolethione is 1198-51-2.
What is the molecular formula of 4-Hydroxy-2(3H)-benzoxazolethione?
The molecular formula of 4-Hydroxy-2(3H)-benzoxazolethione is C7H5NO2S.
What is the molecular weight of 4-Hydroxy-2(3H)-benzoxazolethione?
The molecular weight of 4-Hydroxy-2(3H)-benzoxazolethione is 167.00 g/mol.
Where can I buy 4-Hydroxy-2(3H)-benzoxazolethione?
You can request a quote for 4-Hydroxy-2(3H)-benzoxazolethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-2(3H)-benzoxazolethione?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-2(3H)-benzoxazolethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.