![2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile structure](/static/products/653/65343-08-0.png)
2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile
TL;DR: 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile (CAS 65343-08-0) is a chemical compound with molecular formula C9H4ClN3S2 and molecular weight 252.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorodithiazol-5-ylidene)amino]benzonitrile
Also Known As: 4-Chloro-5-(2-cyanophenylimino)-5H-1,2,3-dithiazole, 2-[(4-chlorodithiazol-5-ylidene)amino]benzonitrile, 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile, 2-(4-Chloro-5H-1,2,3-dithiazol-5-ylideneamino)benzonitrile, 2-[(4-chloro-5H-1,2,3-dithiazol-5-ylidene)amino]benzonitrile
| Molecular Formula | C9H4ClN3S2 |
|---|---|
| Molecular Weight | 252.95 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.95352 |
| Heavy Atoms | 15 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 65343-08-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)N=C2C(=NSS2)Cl |
| InChIKey | DLEGQQHRXZEGOQ-UHFFFAOYSA-N |
Product Overview
2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile (CAS 65343-08-0), with molecular formula C9H4ClN3S2 and molecular weight 252.95 g/mol. IUPAC: 2-[(4-chlorodithiazol-5-ylidene)amino]benzonitrile.
Chemical Property Profile of 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile
Property Insights of 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile
The XLogP value of 3.2 indicates that 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile. Following Lipinski's Rule of Five, 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile has 0 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 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile?
The CAS number of 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile is 65343-08-0.
What is the molecular formula of 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile?
The molecular formula of 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile is C9H4ClN3S2.
What is the molecular weight of 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile?
The molecular weight of 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile is 252.95 g/mol.
Where can I buy 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile?
You can request a quote for 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.