2-Chloro-6-fluorobenzene-1-carbothioamide
TL;DR: 2-Chloro-6-fluorobenzene-1-carbothioamide (CAS 769-05-1) is a chemical compound with molecular formula C7H5ClFNS and molecular weight 188.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-6-fluorobenzenecarbothioamide
Also Known As: 2-CHLORO-6-FLUOROBENZENE-1-CARBOTHIOAMIDE, 2-chloro-6-fluorobenzenecarbothioamide, 2-Chloro-6-fluorobenzothioamide, 2-Chloro-6-fluorothiobenzamide, 2-Chloro-6-Fluorobenzthioamide
| Molecular Formula | C7H5ClFNS |
|---|---|
| Molecular Weight | 188.98 g/mol |
| LogP | 2.1133 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.98152 |
| Heavy Atoms | 11 |
| Complexity | 280.2421 |
Chemical Identifiers
| CAS Number | 769-05-1 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C(=S)N)F |
Product Overview
2-Chloro-6-fluorobenzene-1-carbothioamide (CAS 769-05-1), with molecular formula C7H5ClFNS and molecular weight 188.98 g/mol. IUPAC: 2-chloro-6-fluorobenzenecarbothioamide.
Chemical Property Profile of 2-Chloro-6-fluorobenzene-1-carbothioamide
Property Insights of 2-Chloro-6-fluorobenzene-1-carbothioamide
The XLogP value of 2.1133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-6-fluorobenzene-1-carbothioamide. With a topological polar surface area (TPSA) of 26.02 Ų, 2-Chloro-6-fluorobenzene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-fluorobenzene-1-carbothioamide has 1 hydrogen bond donor(s) and 1 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-Chloro-6-fluorobenzene-1-carbothioamide?
The CAS number of 2-Chloro-6-fluorobenzene-1-carbothioamide is 769-05-1.
What is the molecular formula of 2-Chloro-6-fluorobenzene-1-carbothioamide?
The molecular formula of 2-Chloro-6-fluorobenzene-1-carbothioamide is C7H5ClFNS.
What is the molecular weight of 2-Chloro-6-fluorobenzene-1-carbothioamide?
The molecular weight of 2-Chloro-6-fluorobenzene-1-carbothioamide is 188.98 g/mol.
Where can I buy 2-Chloro-6-fluorobenzene-1-carbothioamide?
You can request a quote for 2-Chloro-6-fluorobenzene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-fluorobenzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-fluorobenzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.