2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole
TL;DR: 2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole (CAS 540518-19-2) is a chemical compound with molecular formula C12H14N2O3S3 and molecular weight 330.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]morpholine
Also Known As: 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]morpholine, AO-080/42480013, 2-(methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole, 2-methylthio-6-(morpholin-4-ylsulfonyl)benzothiazole, 2-(METHYLSULFANYL)-1,3-BENZOTHIAZOL-6-YL MORPHOLINO SULFONE
| Molecular Formula | C12H14N2O3S3 |
|---|---|
| Molecular Weight | 330.02 g/mol |
| LogP | 2.0391 |
| Topological Polar Surface Area | 59.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.01666 |
| Heavy Atoms | 20 |
| Complexity | 720.6228 |
Chemical Identifiers
| CAS Number | 540518-19-2 |
|---|---|
| SMILES | CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCOCC3 |
Product Overview
2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole (CAS 540518-19-2), with molecular formula C12H14N2O3S3 and molecular weight 330.02 g/mol. IUPAC: 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)sulfonyl]morpholine.
Chemical Property Profile of 2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole
Property Insights of 2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole
The XLogP value of 2.0391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole. With a topological polar surface area (TPSA) of 59.5 Ų, 2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole has 0 hydrogen bond donor(s) and 6 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-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole?
The CAS number of 2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole is 540518-19-2.
What is the molecular formula of 2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole?
The molecular formula of 2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole is C12H14N2O3S3.
What is the molecular weight of 2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole?
The molecular weight of 2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole is 330.02 g/mol.
Where can I buy 2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole?
You can request a quote for 2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylthio)-6-(4-morpholinylsulfonyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.