TL;DR: HT (chemical warfare agent) (CAS 172672-28-5) is a chemical compound with molecular formula C12H24Cl4OS3 and molecular weight 419.97433 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-chloro-2-(2-chloroethylsulfanyl)ethane;1-(2-chloroethylsulfanyl)-2-[2-(2-chloroethylsulfanyl)ethoxy]ethane
Also Known As: Mustard/T, Sulfur mustard agent HT, HT (chemical warfare agent), Sr 59768, Ethane, 1,1'-thiobis(2-chloro-, mixted with 1,1'-oxybis(2-((2-chloroethyl)thio)ethane
| Molecular Formula | C12H24Cl4OS3 |
| Molecular Weight | 419.97433 g/mol |
| XLogP | 5.14 |
| Topological Polar Surface Area (TPSA) | 85.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 421.9714 Da |
| Heavy Atoms | 20 |
| Complexity | 115.0 |
| SMILES | C(CSCCCl)OCCSCCCl.C(CCl)SCCCl |
| InChIKey | NGNKKCMDHYWEDP-UHFFFAOYSA-N |
The XLogP value of 5.14 indicates that HT (chemical warfare agent) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for HT (chemical warfare agent). Following Lipinski's Rule of Five, HT (chemical warfare agent) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of HT (chemical warfare agent) is 172672-28-5.
The molecular formula of HT (chemical warfare agent) is C12H24Cl4OS3.
The molecular weight of HT (chemical warfare agent) is 419.97433 g/mol.
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