1-cyano-N-(4-fluorophenyl)methanethioamide
TL;DR: 1-cyano-N-(4-fluorophenyl)methanethioamide (CAS 79174-47-3) is a chemical compound with molecular formula C8H5FN2S and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyano-N-(4-fluorophenyl)methanethioamide
Also Known As: Maybridge4_002930, 1-cyano-N-(4-fluorophenyl)methanethioamide, N-(4-Fluorophenyl)cyanothioformamide, NCI60_003400, 1-[(Cyanocarbonothioyl)amino]-4-fluorobenzene
| Molecular Formula | C8H5FN2S |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 2.08858 |
| Topological Polar Surface Area | 35.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.01575 |
| Heavy Atoms | 12 |
| Complexity | 325.90625 |
Chemical Identifiers
| CAS Number | 79174-47-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)C#N)F |
Product Overview
1-cyano-N-(4-fluorophenyl)methanethioamide (CAS 79174-47-3), with molecular formula C8H5FN2S and molecular weight 180.02 g/mol. IUPAC: 1-cyano-N-(4-fluorophenyl)methanethioamide.
Chemical Property Profile of 1-cyano-N-(4-fluorophenyl)methanethioamide
Property Insights of 1-cyano-N-(4-fluorophenyl)methanethioamide
The XLogP value of 2.08858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-cyano-N-(4-fluorophenyl)methanethioamide. With a topological polar surface area (TPSA) of 35.82 Ų, 1-cyano-N-(4-fluorophenyl)methanethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-cyano-N-(4-fluorophenyl)methanethioamide has 1 hydrogen bond donor(s) and 2 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 1-cyano-N-(4-fluorophenyl)methanethioamide?
The CAS number of 1-cyano-N-(4-fluorophenyl)methanethioamide is 79174-47-3.
What is the molecular formula of 1-cyano-N-(4-fluorophenyl)methanethioamide?
The molecular formula of 1-cyano-N-(4-fluorophenyl)methanethioamide is C8H5FN2S.
What is the molecular weight of 1-cyano-N-(4-fluorophenyl)methanethioamide?
The molecular weight of 1-cyano-N-(4-fluorophenyl)methanethioamide is 180.02 g/mol.
Where can I buy 1-cyano-N-(4-fluorophenyl)methanethioamide?
You can request a quote for 1-cyano-N-(4-fluorophenyl)methanethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-cyano-N-(4-fluorophenyl)methanethioamide?
Yes, KEHONG BIO provides custom synthesis services for 1-cyano-N-(4-fluorophenyl)methanethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.