![Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]- structure](/static/products/952/95239-71-7.png)
Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]-
TL;DR: Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]- (CAS 95239-71-7) is a chemical compound with molecular formula C11H13ClN4S and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[2-(2-chloroethylsulfanyl)ethylimino]hydrazinyl]benzonitrile
Also Known As: Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]-, 4-[2-[2-(2-chloroethylsulfanyl)ethylimino]hydrazinyl]benzonitrile, 4-[(2E)-3-{2-[(2-Chloroethyl)sulfanyl]ethyl}triaz-2-en-1-yl]benzonitrile
| Molecular Formula | C11H13ClN4S |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 268.05493 |
| Heavy Atoms | 17 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 95239-71-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)NN=NCCSCCCl |
| InChIKey | WEZKDAPIAALMSQ-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]- (CAS 95239-71-7), with molecular formula C11H13ClN4S and molecular weight 268.05 g/mol. IUPAC: 4-[2-[2-(2-chloroethylsulfanyl)ethylimino]hydrazinyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]-
Property Insights of Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]-
The XLogP value of 3.2 indicates that Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]-. Following Lipinski's Rule of Five, Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]- has 1 hydrogen bond donor(s) and 5 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 Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]-?
The CAS number of Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]- is 95239-71-7.
What is the molecular formula of Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]-?
The molecular formula of Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]- is C11H13ClN4S.
What is the molecular weight of Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]-?
The molecular weight of Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]- is 268.05 g/mol.
Where can I buy Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]-?
You can request a quote for Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-[3-[2-[(2-chloroethyl)thio]ethyl]-1-triazenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.