2-Benzoxazolinone, 3-((trichloromethyl)thio)-
TL;DR: 2-Benzoxazolinone, 3-((trichloromethyl)thio)- (CAS 3567-72-4) is a chemical compound with molecular formula C8H4Cl3NO2S and molecular weight 282.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one
Also Known As: 3-Trichloromethylthiobenzoxazolone, 3-((Trichloromethyl)thio)-2-benzoxazolinone, 11.650 R.P., 2-BENZOXAZOLINONE, 3-((TRICHLOROMETHYL)THIO)-, 2-Benzoxazolinone, 3-[(trichloromethyl)thio]-
| Molecular Formula | C8H4Cl3NO2S |
|---|---|
| Molecular Weight | 282.90 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.90283 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 3567-72-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)O2)SC(Cl)(Cl)Cl |
| InChIKey | JJFNGSFEVKIGQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzoxazolinone, 3-((trichloromethyl)thio)- (CAS 3567-72-4), with molecular formula C8H4Cl3NO2S and molecular weight 282.90 g/mol. IUPAC: 3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of 2-Benzoxazolinone, 3-((trichloromethyl)thio)-
Property Insights of 2-Benzoxazolinone, 3-((trichloromethyl)thio)-
The XLogP value of 3.7 indicates that 2-Benzoxazolinone, 3-((trichloromethyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, 2-Benzoxazolinone, 3-((trichloromethyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzoxazolinone, 3-((trichloromethyl)thio)- has 0 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-Benzoxazolinone, 3-((trichloromethyl)thio)-?
The CAS number of 2-Benzoxazolinone, 3-((trichloromethyl)thio)- is 3567-72-4.
What is the molecular formula of 2-Benzoxazolinone, 3-((trichloromethyl)thio)-?
The molecular formula of 2-Benzoxazolinone, 3-((trichloromethyl)thio)- is C8H4Cl3NO2S.
What is the molecular weight of 2-Benzoxazolinone, 3-((trichloromethyl)thio)-?
The molecular weight of 2-Benzoxazolinone, 3-((trichloromethyl)thio)- is 282.90 g/mol.
Where can I buy 2-Benzoxazolinone, 3-((trichloromethyl)thio)-?
You can request a quote for 2-Benzoxazolinone, 3-((trichloromethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoxazolinone, 3-((trichloromethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoxazolinone, 3-((trichloromethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.