(1,3-Benzoxazol-2-ylthio)acetic acid
TL;DR: (1,3-Benzoxazol-2-ylthio)acetic acid (CAS 58089-32-0) is a chemical compound with molecular formula C9H7NO3S and molecular weight 209.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzoxazol-2-ylsulfanyl)acetic acid
Also Known As: (1,3-benzoxazol-2-ylthio)acetic acid, 2-(1,3-benzoxazol-2-ylsulfanyl)acetic acid, 2-(benzo[d]oxazol-2-ylthio)acetic acid, ChemDiv3_000513, (Benzooxazol-2-ylsulfanyl)-acetic acid
| Molecular Formula | C9H7NO3S |
|---|---|
| Molecular Weight | 209.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.01466 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 58089-32-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)SCC(=O)O |
| InChIKey | MZIJIHZQKNAQBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,3-Benzoxazol-2-ylthio)acetic acid (CAS 58089-32-0), with molecular formula C9H7NO3S and molecular weight 209.01 g/mol. IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)acetic acid.
Chemical Property Profile of (1,3-Benzoxazol-2-ylthio)acetic acid
Property Insights of (1,3-Benzoxazol-2-ylthio)acetic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-Benzoxazol-2-ylthio)acetic acid. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Benzoxazol-2-ylthio)acetic acid. Following Lipinski's Rule of Five, (1,3-Benzoxazol-2-ylthio)acetic acid 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
Frequently Asked Questions
What is the CAS number of (1,3-Benzoxazol-2-ylthio)acetic acid?
The CAS number of (1,3-Benzoxazol-2-ylthio)acetic acid is 58089-32-0.
What is the molecular formula of (1,3-Benzoxazol-2-ylthio)acetic acid?
The molecular formula of (1,3-Benzoxazol-2-ylthio)acetic acid is C9H7NO3S.
What is the molecular weight of (1,3-Benzoxazol-2-ylthio)acetic acid?
The molecular weight of (1,3-Benzoxazol-2-ylthio)acetic acid is 209.01 g/mol.
Where can I buy (1,3-Benzoxazol-2-ylthio)acetic acid?
You can request a quote for (1,3-Benzoxazol-2-ylthio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Benzoxazol-2-ylthio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Benzoxazol-2-ylthio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.