Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro-
TL;DR: Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro- (CAS 61881-13-8) is a chemical compound with molecular formula C9H5F3N2S2 and molecular weight 261.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethanethioamide
Also Known As: Benzothiazole, 2-[(trifluorothioacetyl)amino]-, Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro-, N-(1,3-Benzothiazol-2-yl)-2,2,2-trifluoroethanethioamide, N-(1,3-Benzothiazol-2-yl)tri(fluoro)ethanethioamide, N-(1,3-Benzothiazol-2-yl)-2,2,2-trifluoroethanethioamide #
| Molecular Formula | C9H5F3N2S2 |
|---|---|
| Molecular Weight | 261.98 g/mol |
| LogP | 3.5979 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.98462 |
| Heavy Atoms | 16 |
| Complexity | 499.77878 |
Chemical Identifiers
| CAS Number | 61881-13-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=S)C(F)(F)F |
Product Overview
Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro- (CAS 61881-13-8), with molecular formula C9H5F3N2S2 and molecular weight 261.98 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethanethioamide.
Chemical Property Profile of Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro-
Property Insights of Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro-
The XLogP value of 3.5979 indicates that Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.92 Ų, Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro- has 1 hydrogen bond donor(s) and 3 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 Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro-?
The CAS number of Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro- is 61881-13-8.
What is the molecular formula of Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro-?
The molecular formula of Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro- is C9H5F3N2S2.
What is the molecular weight of Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro-?
The molecular weight of Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro- is 261.98 g/mol.
Where can I buy Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro-?
You can request a quote for Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro-?
Yes, KEHONG BIO provides custom synthesis services for Ethanethioamide, N-2-benzothiazolyl-2,2,2-trifluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.