![Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]- structure](/static/products/915/91512-40-2.png)
Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-
TL;DR: Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]- (CAS 91512-40-2) is a chemical compound with molecular formula C14H7F3N2O2S2 and molecular weight 355.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-nitro-2-(trifluoromethyl)phenyl]sulfanyl-1,3-benzothiazole
Also Known As: Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-, BIM-0043997.P001, 2-[4-nitro-2-(trifluoromethyl)phenyl]sulfanyl-1,3-benzothiazole, Benzothiazole,2-[[4-nitro-2-(trifluoromethyl)phenyl]thio], 2-{[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]SULFANYL}-1,3-BENZOTHIAZOLE
| Molecular Formula | C14H7F3N2O2S2 |
|---|---|
| Molecular Weight | 355.99 g/mol |
| LogP | 5.3745 |
| Topological Polar Surface Area | 56.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.9901 |
| Heavy Atoms | 23 |
| Complexity | 860.1049 |
Chemical Identifiers
| CAS Number | 91512-40-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=C(C=C(C=C3)[N+](=O)[O-])C(F)(F)F |
Product Overview
Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]- (CAS 91512-40-2), with molecular formula C14H7F3N2O2S2 and molecular weight 355.99 g/mol. IUPAC: 2-[4-nitro-2-(trifluoromethyl)phenyl]sulfanyl-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-
Property Insights of Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-
The XLogP value of 5.3745 indicates that Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.03 Ų, Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-?
The CAS number of Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]- is 91512-40-2.
What is the molecular formula of Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-?
The molecular formula of Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]- is C14H7F3N2O2S2.
What is the molecular weight of Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-?
The molecular weight of Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]- is 355.99 g/mol.
Where can I buy Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-?
You can request a quote for Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-[[4-nitro-2-(trifluoromethyl)phenyl]thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.