TL;DR: Dimethylthiotoluenediamine (CAS 104983-85-9) is a chemical compound with molecular formula C9H14N2S2 and molecular weight 214.05984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine
Also Known As: Ethacure 300, 3,5-dimethylthio-2,6-diaminotoluene, Dimethyl thio-toluene diamine, dimethylthiotoluenediamine, Dimethylthiotoluene diamine DMTDA
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H14N2S2 |
| Molecular Weight | 214.05984 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.05984 Da |
| Heavy Atoms | 13 |
| Complexity | 150.0 |
| SMILES | CC1=C(C(=CC(=C1N)SC)SC)N |
| InChIKey | TXDBDYPHJXUHEO-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethylthiotoluenediamine. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethylthiotoluenediamine. Following Lipinski's Rule of Five, Dimethylthiotoluenediamine 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 Dimethylthiotoluenediamine is 104983-85-9.
The molecular formula of Dimethylthiotoluenediamine is C9H14N2S2.
The molecular weight of Dimethylthiotoluenediamine is 214.05984 g/mol.
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