TL;DR: Di(nonyl)carbamodithioic acid (CAS 93918-44-6) is a chemical compound with molecular formula C19H39NS2 and molecular weight 345.25238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
di(nonyl)carbamodithioic acid
Also Known As: Dinonyldithiocarbamic acid, di(nonyl)carbamodithioic acid, Carbamic acid, dinonyldithio-, Carbamodithioic acid, dinonyl-, (dinonylamino)methanedithioic Acid
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C19H39NS2 |
| Molecular Weight | 345.25238 g/mol |
| XLogP | 8.8 |
| Topological Polar Surface Area (TPSA) | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 345.25238 Da |
| Heavy Atoms | 22 |
| Complexity | 226.0 |
| SMILES | CCCCCCCCCN(CCCCCCCCC)C(=S)S |
| InChIKey | ULPXPCXAHFNIJI-UHFFFAOYSA-N |
The XLogP value of 8.8 indicates that Di(nonyl)carbamodithioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, Di(nonyl)carbamodithioic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di(nonyl)carbamodithioic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Di(nonyl)carbamodithioic acid is 93918-44-6.
The molecular formula of Di(nonyl)carbamodithioic acid is C19H39NS2.
The molecular weight of Di(nonyl)carbamodithioic acid is 345.25238 g/mol.
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