TL;DR: 2(3H)-Thiazolimine, 4,4a(2)-(1,4-phenylene)bis[N-nitroso-3-(2-propenyl)- (CAS 160060-46-8) is a chemical compound with molecular formula C18H16N6O2S2 and molecular weight 412.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[4-[2-(oxohydrazinylidene)-3-prop-2-enyl-1,3-thiazol-4-yl]phenyl]-3-prop-2-enyl-1,3-thiazol-2-ylidene]nitrous amide
Also Known As: NCI60_028912, 2(3H)-Thiazolimine, 4,4'-(1,4-phenylene)bis[N-nitroso-3-(2-propenyl)-, 2(3H)-Thiazolimine, 4,4a(2)-(1,4-phenylene)bis[N-nitroso-3-(2-propenyl)-, N,N'-{1,4-Phenylenebis[3-(prop-2-en-1-yl)-1,3-thiazol-4-yl-2-ylidene]}dinitrous amide, N-[4-[4-[2-(oxohydrazinylidene)-3-prop-2-enyl-1,3-thiazol-4-yl]phenyl]-3-prop-2-enyl-1,3-thiazol-2-ylidene]nitrous amide
| Molecular Formula | C18H16N6O2S2 |
| Molecular Weight | 412.0776 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 412.0776 Da |
| Heavy Atoms | 28 |
| Complexity | 704.0 |
| SMILES | C=CCN1C(=CSC1=NN=O)C2=CC=C(C=C2)C3=CSC(=NN=O)N3CC=C |
| InChIKey | SLADPVDBQVKRBD-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 2(3H)-Thiazolimine, 4,4a(2)-(1,4-phenylene)bis[N-nitroso-3-(2-propenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting 2(3H)-Thiazolimine, 4,4a(2)-(1,4-phenylene)bis[N-nitroso-3-(2-propenyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2(3H)-Thiazolimine, 4,4a(2)-(1,4-phenylene)bis[N-nitroso-3-(2-propenyl)- has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2(3H)-Thiazolimine, 4,4a(2)-(1,4-phenylene)bis[N-nitroso-3-(2-propenyl)- is 160060-46-8.
The molecular formula of 2(3H)-Thiazolimine, 4,4a(2)-(1,4-phenylene)bis[N-nitroso-3-(2-propenyl)- is C18H16N6O2S2.
The molecular weight of 2(3H)-Thiazolimine, 4,4a(2)-(1,4-phenylene)bis[N-nitroso-3-(2-propenyl)- is 412.0776 g/mol.
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