TL;DR: 1,3-Oxathiolo(5,4-d)thiazole-5(6H)-thione, 6-(4-methylphenyl)-2-((4-methylphenyl)imino)- (CAS 142979-76-8) is a chemical compound with molecular formula C18H14N2OS3 and molecular weight 370.02682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-methylphenyl)-2-(4-methylphenyl)imino-[1,3]oxathiolo[5,4-d][1,3]thiazole-5-thione
Also Known As: 1,3-Oxathiolo(5,4-d)thiazole-5(6H)-thione, 6-(4-methylphenyl)-2-((4-methylphenyl)imino)-, 6-(4-methylphenyl)-2-(4-methylphenyl)imino-[1,3]oxathiolo[5,4-d][1,3]thiazole-5-thione, 2-(4-methylphenyl)-7-(4-methylphenyl)imino-8-oxa-4,6-dithia-2-azabicyclo[3.3.0]oct-9-ene-3-thione
| Molecular Formula | C18H14N2OS3 |
| Molecular Weight | 370.02682 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.02682 Da |
| Heavy Atoms | 24 |
| Complexity | 573.0 |
| SMILES | CC1=CC=C(C=C1)N=C2OC3=C(S2)SC(=S)N3C4=CC=C(C=C4)C |
| InChIKey | WJONLJGZOIDSPI-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that 1,3-Oxathiolo(5,4-d)thiazole-5(6H)-thione, 6-(4-methylphenyl)-2-((4-methylphenyl)imino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Oxathiolo(5,4-d)thiazole-5(6H)-thione, 6-(4-methylphenyl)-2-((4-methylphenyl)imino)-. Following Lipinski's Rule of Five, 1,3-Oxathiolo(5,4-d)thiazole-5(6H)-thione, 6-(4-methylphenyl)-2-((4-methylphenyl)imino)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,3-Oxathiolo(5,4-d)thiazole-5(6H)-thione, 6-(4-methylphenyl)-2-((4-methylphenyl)imino)- is 142979-76-8.
The molecular formula of 1,3-Oxathiolo(5,4-d)thiazole-5(6H)-thione, 6-(4-methylphenyl)-2-((4-methylphenyl)imino)- is C18H14N2OS3.
The molecular weight of 1,3-Oxathiolo(5,4-d)thiazole-5(6H)-thione, 6-(4-methylphenyl)-2-((4-methylphenyl)imino)- is 370.02682 g/mol.
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