benzo-1,4-quinone 1-(S-phenylthioxime)
TL;DR: benzo-1,4-quinone 1-(S-phenylthioxime) (CAS 41772-21-8) is a chemical compound with molecular formula C12H9NOS and molecular weight 215.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylsulfanyliminocyclohexa-2,5-dien-1-one
Also Known As: N-phenylthio-1,4-benzoquinone imine, benzo-1,4-quinone 1-(S-phenylthioxime), 4-phenylsulfanyliminocyclohexa-2,5-dien-1-one, AF-399/33325015
| Molecular Formula | C12H9NOS |
|---|---|
| Molecular Weight | 215.04 g/mol |
| LogP | 2.8298 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.04048 |
| Heavy Atoms | 15 |
| Complexity | 427.94974 |
Chemical Identifiers
| CAS Number | 41772-21-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SN=C2C=CC(=O)C=C2 |
Product Overview
benzo-1,4-quinone 1-(S-phenylthioxime) (CAS 41772-21-8), with molecular formula C12H9NOS and molecular weight 215.04 g/mol. IUPAC: 4-phenylsulfanyliminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of benzo-1,4-quinone 1-(S-phenylthioxime)
Property Insights of benzo-1,4-quinone 1-(S-phenylthioxime)
The XLogP value of 2.8298 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzo-1,4-quinone 1-(S-phenylthioxime). With a topological polar surface area (TPSA) of 29.43 Ų, benzo-1,4-quinone 1-(S-phenylthioxime) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzo-1,4-quinone 1-(S-phenylthioxime) has 0 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 benzo-1,4-quinone 1-(S-phenylthioxime)?
The CAS number of benzo-1,4-quinone 1-(S-phenylthioxime) is 41772-21-8.
What is the molecular formula of benzo-1,4-quinone 1-(S-phenylthioxime)?
The molecular formula of benzo-1,4-quinone 1-(S-phenylthioxime) is C12H9NOS.
What is the molecular weight of benzo-1,4-quinone 1-(S-phenylthioxime)?
The molecular weight of benzo-1,4-quinone 1-(S-phenylthioxime) is 215.04 g/mol.
Where can I buy benzo-1,4-quinone 1-(S-phenylthioxime)?
You can request a quote for benzo-1,4-quinone 1-(S-phenylthioxime) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzo-1,4-quinone 1-(S-phenylthioxime)?
Yes, KEHONG BIO provides custom synthesis services for benzo-1,4-quinone 1-(S-phenylthioxime) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.