双(三氟乙基)氨荒酸
TL;DR: 双(三氟乙基)氨荒酸 (CAS 61414-25-3) is a chemical compound with molecular formula C5H5F6NS2 and molecular weight 256.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(三氟乙基)氨荒酸
bis(2,2,2-trifluoroethyl)carbamodithioic acid
Also Known As: BTCA, Bis(trifluoroethyl)carbamodithioic acid, Bis(trifluoroethyl) dithiocarbamate, Calcium,compd. with gallium (3:5), Lithium bis(trifluoroethyl)dithiocarbamate
| Molecular Formula | C5H5F6NS2 |
|---|---|
| Molecular Weight | 256.98 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.97675 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 61414-25-3 |
|---|---|
| SMILES | C(C(F)(F)F)N(CC(F)(F)F)C(=S)S |
| InChIKey | WPMVTNXZTFLSJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双(三氟乙基)氨荒酸 (CAS 61414-25-3), with molecular formula C5H5F6NS2 and molecular weight 256.98 g/mol. IUPAC: bis(2,2,2-trifluoroethyl)carbamodithioic acid.
Chemical Property Profile of 双(三氟乙基)氨荒酸
Property Insights of 双(三氟乙基)氨荒酸
The XLogP value of 3.1 indicates that 双(三氟乙基)氨荒酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.3 Ų, 双(三氟乙基)氨荒酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双(三氟乙基)氨荒酸 has 1 hydrogen bond donor(s) and 8 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 双(三氟乙基)氨荒酸?
The CAS number of 双(三氟乙基)氨荒酸 is 61414-25-3.
What is the molecular formula of 双(三氟乙基)氨荒酸?
The molecular formula of 双(三氟乙基)氨荒酸 is C5H5F6NS2.
What is the molecular weight of 双(三氟乙基)氨荒酸?
The molecular weight of 双(三氟乙基)氨荒酸 is 256.98 g/mol.
Where can I buy 双(三氟乙基)氨荒酸?
You can request a quote for 双(三氟乙基)氨荒酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(三氟乙基)氨荒酸?
Yes, KEHONG BIO provides custom synthesis services for 双(三氟乙基)氨荒酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.