2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride
TL;DR: 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride (CAS 14742-53-1) is a chemical compound with molecular formula C9H14Cl3NS and molecular weight 272.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
Also Known As: DCTA, 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride, Di-(2-chloroethyl)-thenylamine hydrochloride, N,N-Bis(2-chloroethyl)-2-thenylamine hydrochloride, 2-chloro-N-(2-chloroethyl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
| Molecular Formula | C9H14Cl3NS |
|---|---|
| Molecular Weight | 272.99 g/mol |
| LogP | 3.4495 |
| Topological Polar Surface Area | 31.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.99124 |
| Heavy Atoms | 14 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 14742-53-1 |
|---|---|
| SMILES | C1=CSC(=C1)CN(CCCl)CCCl.Cl |
| InChIKey | JGMOSNLGCYXSCZ-UHFFFAOYSA-N |
Product Overview
2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride (CAS 14742-53-1), with molecular formula C9H14Cl3NS and molecular weight 272.99 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride.
Chemical Property Profile of 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride
Property Insights of 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride
The XLogP value of 3.4495 indicates that 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.5 Ų, 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride?
The CAS number of 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride is 14742-53-1.
What is the molecular formula of 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride?
The molecular formula of 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride is C9H14Cl3NS.
What is the molecular weight of 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride?
The molecular weight of 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride is 272.99 g/mol.
Where can I buy 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride?
You can request a quote for 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Thenylamine, N,N-bis(2-chloroethyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.