TL;DR: (Z)-S-(2-((3-ethylbenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate (CAS 1164495-48-0) is a chemical compound with molecular formula C13H14N2O2S2 and molecular weight 294.04968 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
S-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
Also Known As: VU0110799-7, (Z)-S-(2-((3-ethylbenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate, 2-(acetylsulfanyl)-N-[(2Z)-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]acetamide, F0620-0066, S-[2-[(3-ethyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
| Molecular Formula | C13H14N2O2S2 |
| Molecular Weight | 294.04968 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.04968 Da |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
| SMILES | CCN1C2=CC=CC=C2SC1=NC(=O)CSC(=O)C |
| InChIKey | CGPGIAUKAXAHHO-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-S-(2-((3-ethylbenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-S-(2-((3-ethylbenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate. Following Lipinski's Rule of Five, (Z)-S-(2-((3-ethylbenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-S-(2-((3-ethylbenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate is 1164495-48-0.
The molecular formula of (Z)-S-(2-((3-ethylbenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate is C13H14N2O2S2.
The molecular weight of (Z)-S-(2-((3-ethylbenzo[d]thiazol-2(3H)-ylidene)amino)-2-oxoethyl) ethanethioate is 294.04968 g/mol.
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