TL;DR: 1,4-Dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dithione (CAS 151251-44-4) is a chemical compound with molecular formula C8H10N4S2 and molecular weight 226.03468 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dithione
Also Known As: 1,4-dimethyl-8-sulfanyl-6H-imidazo[4,5-e][1,4]diazepine-5-thione, 1,4-dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dithione, Imidazo[4,5-e][1,4]diazepine-5,8-dithione, 1,4,6,7-tetrahydro-1,4-dimethyl-, Imidazo[4,5-e][1,4]diazepine-5,8-dithione, 1,4,6,7-tetrahydro-1,4-dimethyl-, 1,4-Dimethyl-1,4,6,7-tetrahydroimidazo[4,5-E][1,4]diazepine-5,8-dithione
| Molecular Formula | C8H10N4S2 |
| Molecular Weight | 226.03468 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 97.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.03468 Da |
| Heavy Atoms | 14 |
| Complexity | 281.0 |
| SMILES | CN1C=NC2=C1C(=S)NCC(=S)N2C |
| InChIKey | AHVRRUQBKGMZKQ-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dithione. The TPSA of 97.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dithione. Following Lipinski's Rule of Five, 1,4-Dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dithione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,4-Dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dithione is 151251-44-4.
The molecular formula of 1,4-Dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dithione is C8H10N4S2.
The molecular weight of 1,4-Dimethyl-6,7-dihydroimidazo[4,5-e][1,4]diazepine-5,8-dithione is 226.03468 g/mol.
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