5-(三氟甲基)-1,3,4-噻二唑-2-胺
TL;DR: 5-(三氟甲基)-1,3,4-噻二唑-2-胺 (CAS 10444-89-0) is a chemical compound with molecular formula C3H2F3N3S and molecular weight 168.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(三氟甲基)-1,3,4-噻二唑-2-胺
5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
Also Known As: 5-(Trifluoromethyl)-1,3,4-thiadiazol-2-amine, 2-Amino-5-trifluoromethyl-1,3,4-thiadiazole, 2-Amino-5-(trifluoromethyl)-1,3,4-thiadiazole, zlchem 1059, Maybridge1_003448
| Molecular Formula | C3H2F3N3S |
|---|---|
| Molecular Weight | 168.99 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.99216 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
| Solubility | 17 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 10444-89-0 |
|---|---|
| SMILES | C1(=NN=C(S1)N)C(F)(F)F |
| InChIKey | LTEUXHSAYOSFGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(三氟甲基)-1,3,4-噻二唑-2-胺 (CAS 10444-89-0), with molecular formula C3H2F3N3S and molecular weight 168.99 g/mol. IUPAC: 5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-(三氟甲基)-1,3,4-噻二唑-2-胺
Property Insights of 5-(三氟甲基)-1,3,4-噻二唑-2-胺
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(三氟甲基)-1,3,4-噻二唑-2-胺. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(三氟甲基)-1,3,4-噻二唑-2-胺. Following Lipinski's Rule of Five, 5-(三氟甲基)-1,3,4-噻二唑-2-胺 has 1 hydrogen bond donor(s) and 7 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 5-(三氟甲基)-1,3,4-噻二唑-2-胺?
The CAS number of 5-(三氟甲基)-1,3,4-噻二唑-2-胺 is 10444-89-0.
What is the molecular formula of 5-(三氟甲基)-1,3,4-噻二唑-2-胺?
The molecular formula of 5-(三氟甲基)-1,3,4-噻二唑-2-胺 is C3H2F3N3S.
What is the molecular weight of 5-(三氟甲基)-1,3,4-噻二唑-2-胺?
The molecular weight of 5-(三氟甲基)-1,3,4-噻二唑-2-胺 is 168.99 g/mol.
Where can I buy 5-(三氟甲基)-1,3,4-噻二唑-2-胺?
You can request a quote for 5-(三氟甲基)-1,3,4-噻二唑-2-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(三氟甲基)-1,3,4-噻二唑-2-胺?
Yes, KEHONG BIO provides custom synthesis services for 5-(三氟甲基)-1,3,4-噻二唑-2-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.