Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate
TL;DR: Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate (CAS 849066-46-2) is a chemical compound with molecular formula C13H20ClFN2S2 and molecular weight 322.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)carbamodithioate;triethylazanium
Also Known As: Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate, TEAH; [(3-chloro-4-fluorophenyl)carbamothioyl]sulfanide, N-(3-chloro-4-fluorophenyl)carbamodithioate;triethylazanium, TRIETHYLAMMONIUM (3-CHLORO-4-FLUOROANILINO)METHANEDITHIOATE, N-(3-chloro-4-fluorophenyl)carbamodithioate; triethylazanium
| Molecular Formula | C13H20ClFN2S2 |
|---|---|
| Molecular Weight | 322.07 g/mol |
| LogP | 2.6538 |
| Topological Polar Surface Area | 16.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.07404 |
| Heavy Atoms | 19 |
| Complexity | 392.71988 |
Chemical Identifiers
| CAS Number | 849066-46-2 |
|---|---|
| SMILES | CC[NH+](CC)CC.C1=CC(=C(C=C1NC(=S)[S-])Cl)F |
Product Overview
Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate (CAS 849066-46-2), with molecular formula C13H20ClFN2S2 and molecular weight 322.07 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)carbamodithioate;triethylazanium.
Chemical Property Profile of Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate
Property Insights of Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate
The XLogP value of 2.6538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate. With a topological polar surface area (TPSA) of 16.47 Ų, Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate has 2 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 Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate?
The CAS number of Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate is 849066-46-2.
What is the molecular formula of Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate?
The molecular formula of Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate is C13H20ClFN2S2.
What is the molecular weight of Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate?
The molecular weight of Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate is 322.07 g/mol.
Where can I buy Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate?
You can request a quote for Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate?
Yes, KEHONG BIO provides custom synthesis services for Triethylammonium(3-chloro-4-fluoroanilino)methanedithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.