![2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid structure](/static/products/496/496964-80-8.png)
2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid
TL;DR: 2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid (CAS 496964-80-8) is a chemical compound with molecular formula C9H8ClNO2S2 and molecular weight 260.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-(2-hydroxysulfanylethylsulfanyl)-1,3-benzoxazole
Also Known As: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid, AO-185/13959047, 5-chloro-2-(2-hydroxysulfanylethylsulfanyl)-1,3-benzoxazole
| Molecular Formula | C9H8ClNO2S2 |
|---|---|
| Molecular Weight | 260.97 g/mol |
| LogP | 3.7795 |
| Topological Polar Surface Area | 46.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.9685 |
| Heavy Atoms | 15 |
| Complexity | 460.3091 |
Chemical Identifiers
| CAS Number | 496964-80-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)N=C(O2)SCCSO |
Product Overview
2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid (CAS 496964-80-8), with molecular formula C9H8ClNO2S2 and molecular weight 260.97 g/mol. IUPAC: 5-chloro-2-(2-hydroxysulfanylethylsulfanyl)-1,3-benzoxazole.
Chemical Property Profile of 2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid
Property Insights of 2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid
The XLogP value of 3.7795 indicates that 2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.26 Ų, 2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic 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 2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid?
The CAS number of 2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid is 496964-80-8.
What is the molecular formula of 2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid?
The molecular formula of 2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid is C9H8ClNO2S2.
What is the molecular weight of 2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid?
The molecular weight of 2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid is 260.97 g/mol.
Where can I buy 2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid?
You can request a quote for 2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]ethanesulfenic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.