2(3H)-Benzothiazolone, 4,6-dimethyl-
TL;DR: 2(3H)-Benzothiazolone, 4,6-dimethyl- (CAS 80567-67-5) is a chemical compound with molecular formula C9H9NOS and molecular weight 179.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-3H-1,3-benzothiazol-2-one
Also Known As: 4,6-Dimethyl-2(3H)-benzothiazolone, 4,6-dimethylbenzo[d]thiazol-2(3H)-one, 2(3H)-Benzothiazolone, 4,6-dimethyl-, 4,6-dimethyl-3H-1,3-benzothiazol-2-one, 4,6-Dimethyl-2(3H)-benzothiazolon
| Molecular Formula | C9H9NOS |
|---|---|
| Molecular Weight | 179.04 g/mol |
| LogP | 2.20644 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.04048 |
| Heavy Atoms | 12 |
| Complexity | 480.72446 |
Chemical Identifiers
| CAS Number | 80567-67-5 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)SC(=O)N2)C |
Product Overview
2(3H)-Benzothiazolone, 4,6-dimethyl- (CAS 80567-67-5), with molecular formula C9H9NOS and molecular weight 179.04 g/mol. IUPAC: 4,6-dimethyl-3H-1,3-benzothiazol-2-one.
Chemical Property Profile of 2(3H)-Benzothiazolone, 4,6-dimethyl-
Property Insights of 2(3H)-Benzothiazolone, 4,6-dimethyl-
The XLogP value of 2.20644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzothiazolone, 4,6-dimethyl-. With a topological polar surface area (TPSA) of 32.86 Ų, 2(3H)-Benzothiazolone, 4,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolone, 4,6-dimethyl- 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 2(3H)-Benzothiazolone, 4,6-dimethyl-?
The CAS number of 2(3H)-Benzothiazolone, 4,6-dimethyl- is 80567-67-5.
What is the molecular formula of 2(3H)-Benzothiazolone, 4,6-dimethyl-?
The molecular formula of 2(3H)-Benzothiazolone, 4,6-dimethyl- is C9H9NOS.
What is the molecular weight of 2(3H)-Benzothiazolone, 4,6-dimethyl-?
The molecular weight of 2(3H)-Benzothiazolone, 4,6-dimethyl- is 179.04 g/mol.
Where can I buy 2(3H)-Benzothiazolone, 4,6-dimethyl-?
You can request a quote for 2(3H)-Benzothiazolone, 4,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzothiazolone, 4,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolone, 4,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.