TL;DR: [Methylsulfanyl-[3-(trifluoromethyl)phenyl]sulfanylmethylidene]cyanamide (CAS 152382-06-4) is a chemical compound with molecular formula C10H7F3N2S2 and molecular weight 276.00027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[methylsulfanyl-[3-(trifluoromethyl)phenyl]sulfanylmethylidene]cyanamide
Also Known As: [methylsulfanyl-[3-(trifluoromethyl)phenyl]sulfanylmethylidene]cyanamide|Methyl [3-(trifluoromethyl)phenyl] cyanocarbonimidodithioate|methyl [3-(trifluoromethyl)phenyl]cyanocarbonimidodithioate|Methyl 3-(trifluoromethyl)phenyl cyanocarbonodithioimidate|MFCD00846942
| Molecular Formula | C10H7F3N2S2 |
| Molecular Weight | 276.00027 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 86.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.00027 Da |
| Heavy Atoms | 17 |
| Complexity | 332.0 |
| SMILES | CSC(=NC#N)SC1=CC=CC(=C1)C(F)(F)F |
| InChIKey | CMTYEWAYTUFVDX-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that [Methylsulfanyl-[3-(trifluoromethyl)phenyl]sulfanylmethylidene]cyanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for [Methylsulfanyl-[3-(trifluoromethyl)phenyl]sulfanylmethylidene]cyanamide. Following Lipinski's Rule of Five, [Methylsulfanyl-[3-(trifluoromethyl)phenyl]sulfanylmethylidene]cyanamide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [Methylsulfanyl-[3-(trifluoromethyl)phenyl]sulfanylmethylidene]cyanamide is 152382-06-4.
The molecular formula of [Methylsulfanyl-[3-(trifluoromethyl)phenyl]sulfanylmethylidene]cyanamide is C10H7F3N2S2.
The molecular weight of [Methylsulfanyl-[3-(trifluoromethyl)phenyl]sulfanylmethylidene]cyanamide is 276.00027 g/mol.
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