Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride
TL;DR: Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride (CAS 63951-07-5) is a chemical compound with molecular formula C14H22Cl3NS2 and molecular weight 373.02594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis[2-(2-chloroethylsulfanyl)ethyl]-phenylazanium chloride
Also Known As: Phenyl-bis(2-chloroethyl-mercaptoethyl)amine hydrochloride, ANILINE, N,N-BIS(2-(2-CHLOROETHYLTHIO)ETHYL)-, HYDROCHLORIDE, bis[2-(2-chloroethylsulfanyl)ethyl]-phenylazanium chloride, Benzenamine, N,N-bis[2-[(2-chloroethyl)thio]ethyl]-, hydrochloride
Technical Specifications
| Molecular Formula | C14H22Cl3NS2 |
| Molecular Weight | 373.02594 g/mol |
| XLogP | 0.15 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 373.02594 Da |
| Heavy Atoms | 20 |
| Complexity | 190.0 |
| SMILES | C1=CC=C(C=C1)[NH+](CCSCCCl)CCSCCCl.[Cl-] |
| InChIKey | YGIILZUAYFBBMZ-UHFFFAOYSA-N |
Chemical Property Profile of Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride
Property Insights of Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride
The XLogP value of 0.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride. With a topological polar surface area (TPSA) of 55.0 Ų, Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, 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 Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride?
The CAS number of Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride is 63951-07-5.
What is the molecular formula of Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride?
The molecular formula of Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride is C14H22Cl3NS2.
What is the molecular weight of Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride?
The molecular weight of Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride is 373.02594 g/mol.
Where can I buy Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride?
You can request a quote for Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Aniline, N,N-bis(2-(2-chloroethylthio)ethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.