1-Methyl-2,1-benzothiazol-3-one
TL;DR: 1-Methyl-2,1-benzothiazol-3-one (CAS 23310-36-3) 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.
1-methyl-2,1-benzothiazol-3-one
Also Known As: 1-methyl-2,1-benzothiazol-3-one, 1-methyl-1,3-dihydro-2,1-benzothiazol-3-one, 1-methyl-1,3-dihydrobenzo[c]isothiazol-3-one, 1-Methylbenzo[c]isothiazol-3(1H)-one, 1-Methyl-2,1-benzisothiazole-3(1H)-one
| Molecular Formula | C8H7NOS |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.02484 |
| Heavy Atoms | 11 |
| Complexity | 440.53394 |
Chemical Identifiers
| CAS Number | 23310-36-3 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=O)S1 |
Product Overview
1-Methyl-2,1-benzothiazol-3-one (CAS 23310-36-3), with molecular formula C8H7NOS and molecular weight 165.02 g/mol. IUPAC: 1-methyl-2,1-benzothiazol-3-one.
Chemical Property Profile of 1-Methyl-2,1-benzothiazol-3-one
Property Insights of 1-Methyl-2,1-benzothiazol-3-one
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2,1-benzothiazol-3-one. With a topological polar surface area (TPSA) of 22.0 Ų, 1-Methyl-2,1-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2,1-benzothiazol-3-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 1-Methyl-2,1-benzothiazol-3-one?
The CAS number of 1-Methyl-2,1-benzothiazol-3-one is 23310-36-3.
What is the molecular formula of 1-Methyl-2,1-benzothiazol-3-one?
The molecular formula of 1-Methyl-2,1-benzothiazol-3-one is C8H7NOS.
What is the molecular weight of 1-Methyl-2,1-benzothiazol-3-one?
The molecular weight of 1-Methyl-2,1-benzothiazol-3-one is 165.02 g/mol.
Where can I buy 1-Methyl-2,1-benzothiazol-3-one?
You can request a quote for 1-Methyl-2,1-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2,1-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2,1-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.