TL;DR: 2-(1,2-Dithiolan-4-ylidene)hydrazinecarboxamide (CAS 1124-66-9) is a chemical compound with molecular formula C4H7N3OS2 and molecular weight 177.00305 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(dithiolan-4-ylideneamino)urea
Also Known As: Phenyl 800/1, [1,2]Dithiepan, (dithiolan-4-ylideneamino)urea, 1,2-Dithiolanon-4-semicarbazone, 1,2-DITHIOLAN-4-ONE, SEMICARBAZONE
| Molecular Formula | C4H7N3OS2 |
| Molecular Weight | 177.00305 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.00305 Da |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
| SMILES | C1C(=NNC(=O)N)CSS1 |
| InChIKey | BHOJFJRJYHNOAO-UHFFFAOYSA-N |
The XLogP value of -0.2 indicates that 2-(1,2-Dithiolan-4-ylidene)hydrazinecarboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,2-Dithiolan-4-ylidene)hydrazinecarboxamide. Following Lipinski's Rule of Five, 2-(1,2-Dithiolan-4-ylidene)hydrazinecarboxamide has 2 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 2-(1,2-Dithiolan-4-ylidene)hydrazinecarboxamide is 1124-66-9.
The molecular formula of 2-(1,2-Dithiolan-4-ylidene)hydrazinecarboxamide is C4H7N3OS2.
The molecular weight of 2-(1,2-Dithiolan-4-ylidene)hydrazinecarboxamide is 177.00305 g/mol.
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