4-Fluoro-N-phenylbenzene-1-carbothioamide
TL;DR: 4-Fluoro-N-phenylbenzene-1-carbothioamide (CAS 1629-19-2) is a chemical compound with molecular formula C13H10FNS and molecular weight 231.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-phenylbenzenecarbothioamide
Also Known As: 4-fluorothiobenzanilide, 4-fluoro-N-phenylbenzenecarbothioamide, N-Phenyl-4-fluorothiobenzamide, N-(Phenyl)-4-fluorobenzothioamide, 4-Fluoro-N-phenylbenzene-1-carbothioamide
| Molecular Formula | C13H10FNS |
|---|---|
| Molecular Weight | 231.05 g/mol |
| LogP | 3.6133 |
| Topological Polar Surface Area | 12.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.0518 |
| Heavy Atoms | 16 |
| Complexity | 479.0456 |
Chemical Identifiers
| CAS Number | 1629-19-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=S)C2=CC=C(C=C2)F |
Product Overview
4-Fluoro-N-phenylbenzene-1-carbothioamide (CAS 1629-19-2), with molecular formula C13H10FNS and molecular weight 231.05 g/mol. IUPAC: 4-fluoro-N-phenylbenzenecarbothioamide.
Chemical Property Profile of 4-Fluoro-N-phenylbenzene-1-carbothioamide
Property Insights of 4-Fluoro-N-phenylbenzene-1-carbothioamide
The XLogP value of 3.6133 indicates that 4-Fluoro-N-phenylbenzene-1-carbothioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.03 Ų, 4-Fluoro-N-phenylbenzene-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-N-phenylbenzene-1-carbothioamide has 1 hydrogen bond donor(s) and 1 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-Fluoro-N-phenylbenzene-1-carbothioamide?
The CAS number of 4-Fluoro-N-phenylbenzene-1-carbothioamide is 1629-19-2.
What is the molecular formula of 4-Fluoro-N-phenylbenzene-1-carbothioamide?
The molecular formula of 4-Fluoro-N-phenylbenzene-1-carbothioamide is C13H10FNS.
What is the molecular weight of 4-Fluoro-N-phenylbenzene-1-carbothioamide?
The molecular weight of 4-Fluoro-N-phenylbenzene-1-carbothioamide is 231.05 g/mol.
Where can I buy 4-Fluoro-N-phenylbenzene-1-carbothioamide?
You can request a quote for 4-Fluoro-N-phenylbenzene-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-N-phenylbenzene-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-N-phenylbenzene-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.