1,2-Benzothiazolin-3-one, 6-methyl-
TL;DR: 1,2-Benzothiazolin-3-one, 6-methyl- (CAS 4337-47-7) is a chemical compound with molecular formula C8H7NOS and molecular weight 165.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-1,2-benzothiazol-3-one
Also Known As: 6-Methylbenzo[d]isothiazol-3(2H)-one, 1,2-Benzothiazolin-3-one, 6-methyl-, 6-Methyl-1,2-benzisothiazolone, 6-methyl-1,2-benzothiazol-3-one, 6-Methyl-1,2-benzisothiazolin-3-one
| Molecular Formula | C8H7NOS |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.02484 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 4337-47-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=O)NS2 |
| InChIKey | MKOBQYYGSDGUMU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzothiazolin-3-one, 6-methyl- (CAS 4337-47-7), with molecular formula C8H7NOS and molecular weight 165.02 g/mol. IUPAC: 6-methyl-1,2-benzothiazol-3-one.
Chemical Property Profile of 1,2-Benzothiazolin-3-one, 6-methyl-
Property Insights of 1,2-Benzothiazolin-3-one, 6-methyl-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzothiazolin-3-one, 6-methyl-. With a topological polar surface area (TPSA) of 54.4 Ų, 1,2-Benzothiazolin-3-one, 6-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzothiazolin-3-one, 6-methyl- 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 1,2-Benzothiazolin-3-one, 6-methyl-?
The CAS number of 1,2-Benzothiazolin-3-one, 6-methyl- is 4337-47-7.
What is the molecular formula of 1,2-Benzothiazolin-3-one, 6-methyl-?
The molecular formula of 1,2-Benzothiazolin-3-one, 6-methyl- is C8H7NOS.
What is the molecular weight of 1,2-Benzothiazolin-3-one, 6-methyl-?
The molecular weight of 1,2-Benzothiazolin-3-one, 6-methyl- is 165.02 g/mol.
Where can I buy 1,2-Benzothiazolin-3-one, 6-methyl-?
You can request a quote for 1,2-Benzothiazolin-3-one, 6-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzothiazolin-3-one, 6-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzothiazolin-3-one, 6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.