Benzothiazol-2-one, 3-trichloromethylthio-
TL;DR: Benzothiazol-2-one, 3-trichloromethylthio- (CAS 3567-79-1) is a chemical compound with molecular formula C8H4Cl3NOS2 and molecular weight 298.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(trichloromethylsulfanyl)-1,3-benzothiazol-2-one
Also Known As: N-Trichloromethylthiobenzothiazolone, Trichloromethylthio-3-benzothiazolone, 11,670 RP, 11670RP, BENZOTHIAZOL-2-ONE, 3-TRICHLOROMETHYLTHIO-
| Molecular Formula | C8H4Cl3NOS2 |
|---|---|
| Molecular Weight | 298.88 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 70.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.87997 |
| Heavy Atoms | 15 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 3567-79-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)S2)SC(Cl)(Cl)Cl |
| InChIKey | MKPFMPWXGYOEPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazol-2-one, 3-trichloromethylthio- (CAS 3567-79-1), with molecular formula C8H4Cl3NOS2 and molecular weight 298.88 g/mol. IUPAC: 3-(trichloromethylsulfanyl)-1,3-benzothiazol-2-one.
Chemical Property Profile of Benzothiazol-2-one, 3-trichloromethylthio-
Property Insights of Benzothiazol-2-one, 3-trichloromethylthio-
The XLogP value of 4.4 indicates that Benzothiazol-2-one, 3-trichloromethylthio- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazol-2-one, 3-trichloromethylthio-. Following Lipinski's Rule of Five, Benzothiazol-2-one, 3-trichloromethylthio- 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 Benzothiazol-2-one, 3-trichloromethylthio-?
The CAS number of Benzothiazol-2-one, 3-trichloromethylthio- is 3567-79-1.
What is the molecular formula of Benzothiazol-2-one, 3-trichloromethylthio-?
The molecular formula of Benzothiazol-2-one, 3-trichloromethylthio- is C8H4Cl3NOS2.
What is the molecular weight of Benzothiazol-2-one, 3-trichloromethylthio-?
The molecular weight of Benzothiazol-2-one, 3-trichloromethylthio- is 298.88 g/mol.
Where can I buy Benzothiazol-2-one, 3-trichloromethylthio-?
You can request a quote for Benzothiazol-2-one, 3-trichloromethylthio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazol-2-one, 3-trichloromethylthio-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazol-2-one, 3-trichloromethylthio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.