2-(4-Morpholino)thiobenzothiazole
TL;DR: 2-(4-Morpholino)thiobenzothiazole (CAS 102-77-2) is a chemical compound with molecular formula C11H12N2OS2 and molecular weight 252.03911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,3-benzothiazol-2-ylsulfanyl)morpholine
Also Known As: 2-(Morpholinothio)benzothiazole, Sulfenamide M, Santocure MOR, Sulfenax MOR, Vulcafor BSM
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12N2OS2 |
| Molecular Weight | 252.03911 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.03911 Da |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
| Melting Point | 80 °C |
| Density | 1.34 @ 25 °C |
| Flash Point | 188 °C |
| Solubility | INSOL IN WATER, SOL IN BENZENE, ACETONE, METHANOL |
| SMILES | C1COCCN1SC2=NC3=CC=CC=C3S2 |
| InChIKey | MHKLKWCYGIBEQF-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Morpholino)thiobenzothiazole
Property Insights of 2-(4-Morpholino)thiobenzothiazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Morpholino)thiobenzothiazole. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Morpholino)thiobenzothiazole. Following Lipinski's Rule of Five, 2-(4-Morpholino)thiobenzothiazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-Morpholino)thiobenzothiazole?
The CAS number of 2-(4-Morpholino)thiobenzothiazole is 102-77-2.
What is the molecular formula of 2-(4-Morpholino)thiobenzothiazole?
The molecular formula of 2-(4-Morpholino)thiobenzothiazole is C11H12N2OS2.
What is the molecular weight of 2-(4-Morpholino)thiobenzothiazole?
The molecular weight of 2-(4-Morpholino)thiobenzothiazole is 252.03911 g/mol.
Where can I buy 2-(4-Morpholino)thiobenzothiazole?
You can request a quote for 2-(4-Morpholino)thiobenzothiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Morpholino)thiobenzothiazole?
Yes, CoreyChem provides custom synthesis services for 2-(4-Morpholino)thiobenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.