![6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one structure](/static/products/2201/22010-69-1.webp)
6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one
TL;DR: 6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one (CAS 22010-69-1) is a chemical compound with molecular formula C8H3Cl3N2O4S and molecular weight 327.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one
Also Known As: 6-nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one, 6-nitro-3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one, 6-Nitro-3-((trichloromethyl)thio)benzo[d]oxazol-2(3H)-one
| Molecular Formula | C8H3Cl3N2O4S |
|---|---|
| Molecular Weight | 327.89 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.8879 |
| Heavy Atoms | 18 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 22010-69-1 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2SC(Cl)(Cl)Cl |
| InChIKey | CNUFOIDYECYGLX-UHFFFAOYSA-N |
Product Overview
6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one (CAS 22010-69-1), with molecular formula C8H3Cl3N2O4S and molecular weight 327.89 g/mol. IUPAC: 6-nitro-3-(trichloromethylsulfanyl)-1,3-benzoxazol-2-one.
Chemical Property Profile of 6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one
Property Insights of 6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one
The XLogP value of 3.5 indicates that 6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one. Following Lipinski's Rule of Five, 6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one has 0 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 6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one?
The CAS number of 6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one is 22010-69-1.
What is the molecular formula of 6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one?
The molecular formula of 6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one is C8H3Cl3N2O4S.
What is the molecular weight of 6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one?
The molecular weight of 6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one is 327.89 g/mol.
Where can I buy 6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one?
You can request a quote for 6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-3-[(trichloromethyl)sulfanyl]-1,3-benzoxazol-2(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.