3-Phenyl-1,3-benzothiazol-2(3H)-one
TL;DR: 3-Phenyl-1,3-benzothiazol-2(3H)-one (CAS 4212-93-5) is a chemical compound with molecular formula C13H9NOS and molecular weight 227.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-1,3-benzothiazol-2-one
Also Known As: 3-phenyl-1,3-benzothiazol-2-one, 3-phenyl-1,3-benzothiazol-2(3h)-one, 3-phenylbenzothiazol-2-one, 3-Phenylbenzothiazol-2 -one, 3-Phenyl-3H-benzothiazol-2-on
| Molecular Formula | C13H9NOS |
|---|---|
| Molecular Weight | 227.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.04048 |
| Heavy Atoms | 16 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 4212-93-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=CC=CC=C3SC2=O |
| InChIKey | BHPSZHMGNYEULP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyl-1,3-benzothiazol-2(3H)-one (CAS 4212-93-5), with molecular formula C13H9NOS and molecular weight 227.04 g/mol. IUPAC: 3-phenyl-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-Phenyl-1,3-benzothiazol-2(3H)-one
Property Insights of 3-Phenyl-1,3-benzothiazol-2(3H)-one
The XLogP value of 3.5 indicates that 3-Phenyl-1,3-benzothiazol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 3-Phenyl-1,3-benzothiazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-1,3-benzothiazol-2(3H)-one has 0 hydrogen bond donor(s) and 2 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 3-Phenyl-1,3-benzothiazol-2(3H)-one?
The CAS number of 3-Phenyl-1,3-benzothiazol-2(3H)-one is 4212-93-5.
What is the molecular formula of 3-Phenyl-1,3-benzothiazol-2(3H)-one?
The molecular formula of 3-Phenyl-1,3-benzothiazol-2(3H)-one is C13H9NOS.
What is the molecular weight of 3-Phenyl-1,3-benzothiazol-2(3H)-one?
The molecular weight of 3-Phenyl-1,3-benzothiazol-2(3H)-one is 227.04 g/mol.
Where can I buy 3-Phenyl-1,3-benzothiazol-2(3H)-one?
You can request a quote for 3-Phenyl-1,3-benzothiazol-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 3-Phenyl-1,3-benzothiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-1,3-benzothiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.