(4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine
TL;DR: (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine (CAS 50596-11-7) is a chemical compound with molecular formula C9H8FNOS and molecular weight 197.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NZ)-N-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydroxylamine
Also Known As: (Z)-6-fluorothiochroman-4-one oxime, (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine, (NZ)-N-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydroxylamine
| Molecular Formula | C9H8FNOS |
|---|---|
| Molecular Weight | 197.03 g/mol |
| LogP | 2.4998 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 197.03107 |
| Heavy Atoms | 13 |
| Complexity | 364.6324 |
Chemical Identifiers
| CAS Number | 50596-11-7 |
|---|---|
| SMILES | C\1CSC2=C(/C1=N\O)C=C(C=C2)F |
Product Overview
(4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine (CAS 50596-11-7), with molecular formula C9H8FNOS and molecular weight 197.03 g/mol. IUPAC: (NZ)-N-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)hydroxylamine.
Chemical Property Profile of (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine
Property Insights of (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine
The XLogP value of 2.4998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine. With a topological polar surface area (TPSA) of 32.59 Ų, (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine has 1 hydrogen bond donor(s) and 3 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 (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine?
The CAS number of (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine is 50596-11-7.
What is the molecular formula of (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine?
The molecular formula of (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine is C9H8FNOS.
What is the molecular weight of (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine?
The molecular weight of (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine is 197.03 g/mol.
Where can I buy (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine?
You can request a quote for (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-6-fluoro-N-hydroxy-2,3-dihydro-4H-thiochromen-4-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.