4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one
TL;DR: 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one (CAS 75142-03-9) is a chemical compound with molecular formula C12H8ClNOS and molecular weight 249.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one
Also Known As: 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one, Benzenesulfenamide, 4-chloro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-, 4-[(4-chlorophenylthio)azamethylene]cyclohexa-2,5-dien-1-one, Cyclohexa-2,5-diene-1,4-dione [S-(4-chlorophenyl)thioxime], 4-{[(4-CHLOROPHENYL)SULFANYL]IMINO}CYCLOHEXA-2,5-DIEN-1-ONE
| Molecular Formula | C12H8ClNOS |
|---|---|
| Molecular Weight | 249.00 g/mol |
| LogP | 3.4832 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.00151 |
| Heavy Atoms | 16 |
| Complexity | 470.24515 |
Chemical Identifiers
| CAS Number | 75142-03-9 |
|---|---|
| SMILES | C1=CC(=O)C=CC1=NSC2=CC=C(C=C2)Cl |
Product Overview
4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one (CAS 75142-03-9), with molecular formula C12H8ClNOS and molecular weight 249.00 g/mol. IUPAC: 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one
Property Insights of 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one
The XLogP value of 3.4832 indicates that 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one 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 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one?
The CAS number of 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one is 75142-03-9.
What is the molecular formula of 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one?
The molecular formula of 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one is C12H8ClNOS.
What is the molecular weight of 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one?
The molecular weight of 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one is 249.00 g/mol.
Where can I buy 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one?
You can request a quote for 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorophenyl)sulfanyliminocyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.