![p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone structure](/static/products/7327/732-79-6.webp)
p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone
TL;DR: p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone (CAS 732-79-6) is a chemical compound with molecular formula C12H16Cl2N4S and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]thiourea
Also Known As: NCIOpen2_007876, p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone, [(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]thi, [[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]thiourea
| Molecular Formula | C12H16Cl2N4S |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 2.1377 |
| Topological Polar Surface Area | 53.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.04727 |
| Heavy Atoms | 19 |
| Complexity | 416.2425 |
Chemical Identifiers
| CAS Number | 732-79-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NNC(=S)N)N(CCCl)CCCl |
Product Overview
p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone (CAS 732-79-6), with molecular formula C12H16Cl2N4S and molecular weight 318.05 g/mol. IUPAC: [[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]thiourea.
Chemical Property Profile of p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone
Property Insights of p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone
The XLogP value of 2.1377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone. With a topological polar surface area (TPSA) of 53.65 Ų, p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone has 2 hydrogen bond donor(s) and 3 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 p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone?
The CAS number of p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone is 732-79-6.
What is the molecular formula of p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone?
The molecular formula of p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone is C12H16Cl2N4S.
What is the molecular weight of p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone?
The molecular weight of p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone is 318.05 g/mol.
Where can I buy p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone?
You can request a quote for p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for p-[N,N-bis(2-chloroethyl)amino]benzaldehyde thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.