![1-Chloro-3-[(cyanocarbonothioyl)amino]benzene structure](/static/products/4968/4968-46-1.webp)
1-Chloro-3-[(cyanocarbonothioyl)amino]benzene
TL;DR: 1-Chloro-3-[(cyanocarbonothioyl)amino]benzene (CAS 4968-46-1) is a chemical compound with molecular formula C8H5ClN2S and molecular weight 195.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-1-cyanomethanethioamide
Also Known As: N- -1-cyanothioformamide, N-(3-chlorophenyl)-1-cyanomethanethioamide, (3-chlorophenyl)carbamothioyl cyanide, N-(3-chlorophenyl)cyanothioformanilide, N-(3-Chlorophenyl)-1-cyanothioformamide
| Molecular Formula | C8H5ClN2S |
|---|---|
| Molecular Weight | 195.99 g/mol |
| LogP | 2.60288 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.98619 |
| Heavy Atoms | 12 |
| Complexity | 343.15625 |
Chemical Identifiers
| CAS Number | 4968-46-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=S)C#N |
Product Overview
1-Chloro-3-[(cyanocarbonothioyl)amino]benzene (CAS 4968-46-1), with molecular formula C8H5ClN2S and molecular weight 195.99 g/mol. IUPAC: N-(3-chlorophenyl)-1-cyanomethanethioamide.
Chemical Property Profile of 1-Chloro-3-[(cyanocarbonothioyl)amino]benzene
Property Insights of 1-Chloro-3-[(cyanocarbonothioyl)amino]benzene
The XLogP value of 2.60288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-[(cyanocarbonothioyl)amino]benzene. With a topological polar surface area (TPSA) of 35.82 Ų, 1-Chloro-3-[(cyanocarbonothioyl)amino]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-[(cyanocarbonothioyl)amino]benzene 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 1-Chloro-3-[(cyanocarbonothioyl)amino]benzene?
The CAS number of 1-Chloro-3-[(cyanocarbonothioyl)amino]benzene is 4968-46-1.
What is the molecular formula of 1-Chloro-3-[(cyanocarbonothioyl)amino]benzene?
The molecular formula of 1-Chloro-3-[(cyanocarbonothioyl)amino]benzene is C8H5ClN2S.
What is the molecular weight of 1-Chloro-3-[(cyanocarbonothioyl)amino]benzene?
The molecular weight of 1-Chloro-3-[(cyanocarbonothioyl)amino]benzene is 195.99 g/mol.
Where can I buy 1-Chloro-3-[(cyanocarbonothioyl)amino]benzene?
You can request a quote for 1-Chloro-3-[(cyanocarbonothioyl)amino]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-[(cyanocarbonothioyl)amino]benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-[(cyanocarbonothioyl)amino]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.