Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride
TL;DR: Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride (CAS 63915-54-8) is a chemical compound with molecular formula C9H20Cl3NS2 and molecular weight 311.01028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis[2-(2-chloroethylsulfanyl)ethyl]-methylazanium chloride
Also Known As: TL 1002, Methylbis(beta-chloroethylthioethyl)amine hydrochloride, Methyl-bis(2-chloroethyl-mercaptoethyl)amine hydrochloride, Diethylamine, 2,2'-bis(2-chloroethylmercapto)-N-methyl-, hydrochloride, DIETHYLAMINE, 2,2'-BIS(2-CHLOROETHYLTHIO)-N-METHYL-, HYDROCHLORIDE
Technical Specifications
| Molecular Formula | C9H20Cl3NS2 |
| Molecular Weight | 311.01028 g/mol |
| XLogP | -1.55 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 311.01028 Da |
| Heavy Atoms | 15 |
| Complexity | 105.0 |
| SMILES | C[NH+](CCSCCCl)CCSCCCl.[Cl-] |
| InChIKey | NNCHXAZSMNAKKC-UHFFFAOYSA-N |
Chemical Property Profile of Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride
Property Insights of Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride
The XLogP value of -1.55 indicates that Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.0 Ų, Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride?
The CAS number of Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride is 63915-54-8.
What is the molecular formula of Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride?
The molecular formula of Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride is C9H20Cl3NS2.
What is the molecular weight of Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride?
The molecular weight of Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride is 311.01028 g/mol.
Where can I buy Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride?
You can request a quote for Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Diethylamine, 2,2'-bis(2-chloroethylthio)-N-methyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.