1-(4-Isothiocyanatophenylsulfonyl)piperidine
TL;DR: 1-(4-Isothiocyanatophenylsulfonyl)piperidine (CAS 7356-55-0) is a chemical compound with molecular formula C12H14N2O2S2 and molecular weight 282.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-isothiocyanatophenyl)sulfonylpiperidine
Also Known As: 1-[(4-isothiocyanatophenyl)sulfonyl]piperidine, 1-(4-isothiocyanatophenyl)sulfonylpiperidine, Piperidine,1-[(4-isothiocyanatophenyl)sulfonyl]-, 1-(4-Hydroxyphenyl)ethanone, 1-(4-isothiocyanatobenzenesulfonyl)piperidine
| Molecular Formula | C12H14N2O2S2 |
|---|---|
| Molecular Weight | 282.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 90.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.04968 |
| Heavy Atoms | 18 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 7356-55-0 |
|---|---|
| SMILES | C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N=C=S |
| InChIKey | PMPSZAXEUCIVDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Isothiocyanatophenylsulfonyl)piperidine (CAS 7356-55-0), with molecular formula C12H14N2O2S2 and molecular weight 282.05 g/mol. IUPAC: 1-(4-isothiocyanatophenyl)sulfonylpiperidine.
Chemical Property Profile of 1-(4-Isothiocyanatophenylsulfonyl)piperidine
Property Insights of 1-(4-Isothiocyanatophenylsulfonyl)piperidine
The XLogP value of 3.3 indicates that 1-(4-Isothiocyanatophenylsulfonyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Isothiocyanatophenylsulfonyl)piperidine. Following Lipinski's Rule of Five, 1-(4-Isothiocyanatophenylsulfonyl)piperidine has 0 hydrogen bond donor(s) and 5 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-(4-Isothiocyanatophenylsulfonyl)piperidine?
The CAS number of 1-(4-Isothiocyanatophenylsulfonyl)piperidine is 7356-55-0.
What is the molecular formula of 1-(4-Isothiocyanatophenylsulfonyl)piperidine?
The molecular formula of 1-(4-Isothiocyanatophenylsulfonyl)piperidine is C12H14N2O2S2.
What is the molecular weight of 1-(4-Isothiocyanatophenylsulfonyl)piperidine?
The molecular weight of 1-(4-Isothiocyanatophenylsulfonyl)piperidine is 282.05 g/mol.
Where can I buy 1-(4-Isothiocyanatophenylsulfonyl)piperidine?
You can request a quote for 1-(4-Isothiocyanatophenylsulfonyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Isothiocyanatophenylsulfonyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Isothiocyanatophenylsulfonyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.