Tetrahydrobenzothiazole deriv.
TL;DR: Tetrahydrobenzothiazole deriv. (CAS 127500-59-8) is a chemical compound with molecular formula C14H19N3O2S3 and molecular weight 357.06393 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] morpholine-4-carbodithioate
Also Known As: Tetrahydrobenzothiazole deriv., 6-methyl-4-phenyl-2H-pyran-2-one, NCI60_017756, 4-Morpholinecarbodithioic acid, 2-oxo-2-((4,5,6,7-tetrahydro-2-benzothiazolyl)amino)ethyl ester, 2-((Morpholinothiocarbonylthio)acetamido)-4,5,6,7-tetrahydro-1,3-benzothiazole
Technical Specifications
| Molecular Formula | C14H19N3O2S3 |
| Molecular Weight | 357.06393 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.06393 Da |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
| SMILES | C1CCC2=C(C1)N=C(S2)NC(=O)CSC(=S)N3CCOCC3 |
| InChIKey | UZURKWYRKRDHNW-UHFFFAOYSA-N |
Chemical Property Profile of Tetrahydrobenzothiazole deriv.
Property Insights of Tetrahydrobenzothiazole deriv.
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetrahydrobenzothiazole deriv.. The TPSA of 140.0 Ų indicates high polarity, suggesting Tetrahydrobenzothiazole deriv. may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tetrahydrobenzothiazole deriv. has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tetrahydrobenzothiazole deriv.?
The CAS number of Tetrahydrobenzothiazole deriv. is 127500-59-8.
What is the molecular formula of Tetrahydrobenzothiazole deriv.?
The molecular formula of Tetrahydrobenzothiazole deriv. is C14H19N3O2S3.
What is the molecular weight of Tetrahydrobenzothiazole deriv.?
The molecular weight of Tetrahydrobenzothiazole deriv. is 357.06393 g/mol.
Where can I buy Tetrahydrobenzothiazole deriv.?
You can request a quote for Tetrahydrobenzothiazole deriv. directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tetrahydrobenzothiazole deriv.?
Yes, CoreyChem provides custom synthesis services for Tetrahydrobenzothiazole deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.