2-(Phenylsulfanyl)benzoyl chloride
TL;DR: 2-(Phenylsulfanyl)benzoyl chloride (CAS 53976-19-5) is a chemical compound with molecular formula C13H9ClOS and molecular weight 248.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanylbenzoyl chloride
Also Known As: 2-(phenylsulfanyl)benzoyl chloride, 2-phenylsulfanylbenzoyl chloride, 2-Phenylthio-benzoylchlorid, 2-(phenylthio)-benzoylchloride, 2-(phenylthio)benzoyl chloride
| Molecular Formula | C13H9ClOS |
|---|---|
| Molecular Weight | 248.01 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.00627 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 53976-19-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)SC2=CC=CC=C2C(=O)Cl |
| InChIKey | JGJQEYFJHPOGJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Phenylsulfanyl)benzoyl chloride (CAS 53976-19-5), with molecular formula C13H9ClOS and molecular weight 248.01 g/mol. IUPAC: 2-phenylsulfanylbenzoyl chloride.
Chemical Property Profile of 2-(Phenylsulfanyl)benzoyl chloride
Property Insights of 2-(Phenylsulfanyl)benzoyl chloride
The XLogP value of 4.5 indicates that 2-(Phenylsulfanyl)benzoyl chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 2-(Phenylsulfanyl)benzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Phenylsulfanyl)benzoyl chloride has 0 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 2-(Phenylsulfanyl)benzoyl chloride?
The CAS number of 2-(Phenylsulfanyl)benzoyl chloride is 53976-19-5.
What is the molecular formula of 2-(Phenylsulfanyl)benzoyl chloride?
The molecular formula of 2-(Phenylsulfanyl)benzoyl chloride is C13H9ClOS.
What is the molecular weight of 2-(Phenylsulfanyl)benzoyl chloride?
The molecular weight of 2-(Phenylsulfanyl)benzoyl chloride is 248.01 g/mol.
Where can I buy 2-(Phenylsulfanyl)benzoyl chloride?
You can request a quote for 2-(Phenylsulfanyl)benzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Phenylsulfanyl)benzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-(Phenylsulfanyl)benzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.