N-(aminothioxomethyl)-2,2,2-trifluoroacetamide
TL;DR: N-(aminothioxomethyl)-2,2,2-trifluoroacetamide (CAS 34067-44-2) is a chemical compound with molecular formula C3H3F3N2OS and molecular weight 171.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-carbamothioyl-2,2,2-trifluoroacetamide
Also Known As: N-carbamothioyl-2,2,2-trifluoroacetamide, (trifluoroacetyl)thiourea, EINECS 251-815-5, N-(Aminothioxomethyl)-2,2,2-trifluoroacetamide, (2,2,2-trifluoroacetyl)thiourea
| Molecular Formula | C3H3F3N2OS |
|---|---|
| Molecular Weight | 171.99 g/mol |
| LogP | -0.0915 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.99182 |
| Heavy Atoms | 10 |
| Complexity | 165.62097 |
Chemical Identifiers
| CAS Number | 34067-44-2 |
|---|---|
| SMILES | C(=O)(C(F)(F)F)NC(=S)N |
Product Overview
N-(aminothioxomethyl)-2,2,2-trifluoroacetamide (CAS 34067-44-2), with molecular formula C3H3F3N2OS and molecular weight 171.99 g/mol. IUPAC: N-carbamothioyl-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-(aminothioxomethyl)-2,2,2-trifluoroacetamide
Property Insights of N-(aminothioxomethyl)-2,2,2-trifluoroacetamide
The XLogP value of -0.0915 indicates that N-(aminothioxomethyl)-2,2,2-trifluoroacetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.12 Ų, N-(aminothioxomethyl)-2,2,2-trifluoroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(aminothioxomethyl)-2,2,2-trifluoroacetamide 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 N-(aminothioxomethyl)-2,2,2-trifluoroacetamide?
The CAS number of N-(aminothioxomethyl)-2,2,2-trifluoroacetamide is 34067-44-2.
What is the molecular formula of N-(aminothioxomethyl)-2,2,2-trifluoroacetamide?
The molecular formula of N-(aminothioxomethyl)-2,2,2-trifluoroacetamide is C3H3F3N2OS.
What is the molecular weight of N-(aminothioxomethyl)-2,2,2-trifluoroacetamide?
The molecular weight of N-(aminothioxomethyl)-2,2,2-trifluoroacetamide is 171.99 g/mol.
Where can I buy N-(aminothioxomethyl)-2,2,2-trifluoroacetamide?
You can request a quote for N-(aminothioxomethyl)-2,2,2-trifluoroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(aminothioxomethyl)-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(aminothioxomethyl)-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.