TL;DR: Spiro[2H-thiete-2,9'-[9H]xanthene], 4-(1,1-dimethylethyl)-3-(methylthio)- (CAS 73280-78-1) is a chemical compound with molecular formula C20H20OS2 and molecular weight 340.09555 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butyl-3-methylsulfanylspiro[thiete-2,9'-xanthene]
Also Known As: 4-tert-butyl-3-methylsulfanylspiro[thiete-2,9'-xanthene], Spiro[2H-thiete-2,9'-[9H]xanthene], 4-(1,1-dimethylethyl)-3-(methylthio)-, 3-methylsulfanyl-4-tert-butyl-spiro[thiete-2,9'-xanthene], 4-TERT-BUTYL-3-(METHYLSULFANYL)SPIRO[THIETE-2,9'-XANTHENE]
| Molecular Formula | C20H20OS2 |
| Molecular Weight | 340.09555 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.09555 Da |
| Heavy Atoms | 23 |
| Complexity | 482.0 |
| SMILES | CC(C)(C)C1=C(C2(S1)C3=CC=CC=C3OC4=CC=CC=C24)SC |
| InChIKey | XUKPHHXMTZQPSQ-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that Spiro[2H-thiete-2,9'-[9H]xanthene], 4-(1,1-dimethylethyl)-3-(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, Spiro[2H-thiete-2,9'-[9H]xanthene], 4-(1,1-dimethylethyl)-3-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiro[2H-thiete-2,9'-[9H]xanthene], 4-(1,1-dimethylethyl)-3-(methylthio)- has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Spiro[2H-thiete-2,9'-[9H]xanthene], 4-(1,1-dimethylethyl)-3-(methylthio)- is 73280-78-1.
The molecular formula of Spiro[2H-thiete-2,9'-[9H]xanthene], 4-(1,1-dimethylethyl)-3-(methylthio)- is C20H20OS2.
The molecular weight of Spiro[2H-thiete-2,9'-[9H]xanthene], 4-(1,1-dimethylethyl)-3-(methylthio)- is 340.09555 g/mol.
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