Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)-
TL;DR: Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)- (CAS 64977-17-9) is a chemical compound with molecular formula C11H15Cl2NS and molecular weight 263.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-bis(2-chloroethyl)-4-methylsulfanylaniline
Also Known As: N,N-Bis(2-chloroethyl)-4-methylthioaniline, Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)-, N,N-Bis(2-chloroethyl)-4-(methylthio)benzenamine, N,N-bis(2-chloroethyl)-4-methylsulfanylaniline, 4-13-00-01314 (Beilstein Handbook Reference)
| Molecular Formula | C11H15Cl2NS |
|---|---|
| Molecular Weight | 263.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 263.0302 |
| Heavy Atoms | 15 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 64977-17-9 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)N(CCCl)CCCl |
| InChIKey | GQILSBKHQTYPGZ-UHFFFAOYSA-N |
Product Overview
Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)- (CAS 64977-17-9), with molecular formula C11H15Cl2NS and molecular weight 263.03 g/mol. IUPAC: N,N-bis(2-chloroethyl)-4-methylsulfanylaniline.
Chemical Property Profile of Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)-
Property Insights of Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)-
The XLogP value of 3.4 indicates that Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)- has 0 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 Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)-?
The CAS number of Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)- is 64977-17-9.
What is the molecular formula of Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)-?
The molecular formula of Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)- is C11H15Cl2NS.
What is the molecular weight of Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)-?
The molecular weight of Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)- is 263.03 g/mol.
Where can I buy Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)-?
You can request a quote for Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenamine, N,N-bis(2-chloroethyl)-4-(methylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.