TL;DR: Anthracene, 9-(((2-chloroethyl)thio)methyl)-10-methyl- (CAS 109333-61-1) is a chemical compound with molecular formula C18H17ClS and molecular weight 300.07394 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-(2-chloroethylsulfanylmethyl)-10-methylanthracene
Also Known As: 9-(((2-Chloroethyl)thio)methyl)-10-methylanthracene, 9-(2-chloroethylsulfanylmethyl)-10-methylanthracene, Anthracene, 9-(((2-chloroethyl)thio)methyl)-10-methyl-, 10-methyl-9(((2-chloroethyl)thio)methyl)anthracene, (2-Chloroethyl)((10-methylanthracen-9-yl)methyl)sulfane
| Molecular Formula | C18H17ClS |
| Molecular Weight | 300.07394 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.07394 Da |
| Heavy Atoms | 20 |
| Complexity | 282.0 |
| SMILES | CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CSCCCl |
| InChIKey | LTXOIQRGDJZUSN-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that Anthracene, 9-(((2-chloroethyl)thio)methyl)-10-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Anthracene, 9-(((2-chloroethyl)thio)methyl)-10-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Anthracene, 9-(((2-chloroethyl)thio)methyl)-10-methyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Anthracene, 9-(((2-chloroethyl)thio)methyl)-10-methyl- is 109333-61-1.
The molecular formula of Anthracene, 9-(((2-chloroethyl)thio)methyl)-10-methyl- is C18H17ClS.
The molecular weight of Anthracene, 9-(((2-chloroethyl)thio)methyl)-10-methyl- is 300.07394 g/mol.
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