![S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate structure](/static/products/1453/145396-55-0.webp)
S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate
TL;DR: S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate (CAS 145396-55-0) is a chemical compound with molecular formula C15H10F3NO3S and molecular weight 341.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate
Also Known As: ChemDiv3_006633, IDI1_024543, BRD-K14996124-001-02-5, S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate, 1-(phenylsulfanyl)-N-[2-(trifluoromethyl)-2H-1,3-benzodioxol-2-yl]formamide
| Molecular Formula | C15H10F3NO3S |
|---|---|
| Molecular Weight | 341.03 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.03336 |
| Heavy Atoms | 23 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 145396-55-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC(=O)NC2(OC3=CC=CC=C3O2)C(F)(F)F |
| InChIKey | ZLXPZPKHJBFPMB-UHFFFAOYSA-N |
Product Overview
S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate (CAS 145396-55-0), with molecular formula C15H10F3NO3S and molecular weight 341.03 g/mol. IUPAC: S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate.
Chemical Property Profile of S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate
Property Insights of S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate
The XLogP value of 4.6 indicates that S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate. Following Lipinski's Rule of Five, S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate 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 S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate?
The CAS number of S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate is 145396-55-0.
What is the molecular formula of S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate?
The molecular formula of S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate is C15H10F3NO3S.
What is the molecular weight of S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate?
The molecular weight of S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate is 341.03 g/mol.
Where can I buy S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate?
You can request a quote for S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate?
Yes, KEHONG BIO provides custom synthesis services for S-phenyl N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]carbamothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.