4-(三氟甲基)-2-苯并噻唑胺
TL;DR: 4-(三氟甲基)-2-苯并噻唑胺 (CAS 60388-36-5) is a chemical compound with molecular formula C8H5F3N2S and molecular weight 218.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(三氟甲基)-2-苯并噻唑胺
4-(trifluoromethyl)-1,3-benzothiazol-2-amine
Also Known As: 4-(trifluoromethyl)-1,3-benzothiazol-2-amine, 4-(Trifluoromethyl)benzo[d]thiazol-2-amine, 2-Benzothiazolamine, 4-(trifluoromethyl)-, 4- benzothiazol-2-amine, 4-(Trifluoromethyl)benzothiazol-2-amine
| Molecular Formula | C8H5F3N2S |
|---|---|
| Molecular Weight | 218.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.01256 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 60388-36-5 |
|---|---|
| SMILES | C1=CC(=C2C(=C1)SC(=N2)N)C(F)(F)F |
| InChIKey | FGZBTCDIPNGYRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(三氟甲基)-2-苯并噻唑胺 (CAS 60388-36-5), with molecular formula C8H5F3N2S and molecular weight 218.01 g/mol. IUPAC: 4-(trifluoromethyl)-1,3-benzothiazol-2-amine.
Chemical Property Profile of 4-(三氟甲基)-2-苯并噻唑胺
Property Insights of 4-(三氟甲基)-2-苯并噻唑胺
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(三氟甲基)-2-苯并噻唑胺. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(三氟甲基)-2-苯并噻唑胺. Following Lipinski's Rule of Five, 4-(三氟甲基)-2-苯并噻唑胺 has 1 hydrogen bond donor(s) and 6 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 4-(三氟甲基)-2-苯并噻唑胺?
The CAS number of 4-(三氟甲基)-2-苯并噻唑胺 is 60388-36-5.
What is the molecular formula of 4-(三氟甲基)-2-苯并噻唑胺?
The molecular formula of 4-(三氟甲基)-2-苯并噻唑胺 is C8H5F3N2S.
What is the molecular weight of 4-(三氟甲基)-2-苯并噻唑胺?
The molecular weight of 4-(三氟甲基)-2-苯并噻唑胺 is 218.01 g/mol.
Where can I buy 4-(三氟甲基)-2-苯并噻唑胺?
You can request a quote for 4-(三氟甲基)-2-苯并噻唑胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(三氟甲基)-2-苯并噻唑胺?
Yes, KEHONG BIO provides custom synthesis services for 4-(三氟甲基)-2-苯并噻唑胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.