2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide
TL;DR: 2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide (CAS 175205-87-5) is a chemical compound with molecular formula C8H4Cl2F3NS and molecular weight 272.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dichloro-4-(trifluoromethyl)benzenecarbothioamide
Also Known As: Maybridge1_007894, 2,6-DICHLORO-4-(TRIFLUOROMETHYL)THIOBENZAMIDE, N,N-DIMETHYLOXAMICACID, 2,6-dichloro-4-(trifluoromethyl)benzenecarbothioamide, 2,6-dichloro-4-(trifluoromethyl)benzene-1-carbothioamide
| Molecular Formula | C8H4Cl2F3NS |
|---|---|
| Molecular Weight | 272.94 g/mol |
| LogP | 3.6464 |
| Topological Polar Surface Area | 26.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.93936 |
| Heavy Atoms | 15 |
| Complexity | 393.8332 |
Chemical Identifiers
| CAS Number | 175205-87-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)C(=S)N)Cl)C(F)(F)F |
Product Overview
2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide (CAS 175205-87-5), with molecular formula C8H4Cl2F3NS and molecular weight 272.94 g/mol. IUPAC: 2,6-dichloro-4-(trifluoromethyl)benzenecarbothioamide.
Chemical Property Profile of 2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide
Property Insights of 2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide
The XLogP value of 3.6464 indicates that 2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.02 Ų, 2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dichloro-4-(trifluoromethyl)benzene-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 2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide?
The CAS number of 2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide is 175205-87-5.
What is the molecular formula of 2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide?
The molecular formula of 2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide is C8H4Cl2F3NS.
What is the molecular weight of 2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide?
The molecular weight of 2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide is 272.94 g/mol.
Where can I buy 2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide?
You can request a quote for 2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dichloro-4-(trifluoromethyl)benzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.