Benzothiazolone
TL;DR: Benzothiazolone (CAS 934-34-9) is a chemical compound with molecular formula C7H5NOS and molecular weight 151.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3H-1,3-benzothiazol-2-one
Also Known As: Benzothiazolone, 2-Benzothiazolol, 2(3H)-Benzothiazolone, 2-HYDROXYBENZOTHIAZOLE, benzothiazolol
| Molecular Formula | C7H5NOS |
|---|---|
| Molecular Weight | 151.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 151.00919 |
| Heavy Atoms | 10 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 934-34-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)S2 |
| InChIKey | YEDUAINPPJYDJZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzothiazolone (CAS 934-34-9), with molecular formula C7H5NOS and molecular weight 151.01 g/mol. IUPAC: 3H-1,3-benzothiazol-2-one.
Chemical Property Profile of Benzothiazolone
Property Insights of Benzothiazolone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazolone. With a topological polar surface area (TPSA) of 54.4 Ų, Benzothiazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazolone has 1 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 Benzothiazolone?
The CAS number of Benzothiazolone is 934-34-9.
What is the molecular formula of Benzothiazolone?
The molecular formula of Benzothiazolone is C7H5NOS.
What is the molecular weight of Benzothiazolone?
The molecular weight of Benzothiazolone is 151.01 g/mol.
Where can I buy Benzothiazolone?
You can request a quote for Benzothiazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazolone?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.