2-Iodobenzylthio Group
TL;DR: 2-Iodobenzylthio Group (CAS 115860-41-8) is a chemical compound with molecular formula C7H7IS and molecular weight 249.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-iodophenyl)methanethiol
Also Known As: 2-Iodobenzylthio Group, (2-iodophenyl)methanethiol, 2-iodo-benzenemethanethiol, IBZ
| Molecular Formula | C7H7IS |
|---|---|
| Molecular Weight | 249.93 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 1.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 249.93132 |
| Heavy Atoms | 9 |
| Complexity | 85.0 |
Chemical Identifiers
| CAS Number | 115860-41-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CS)I |
| InChIKey | KVYARXTXGITUCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Iodobenzylthio Group (CAS 115860-41-8), with molecular formula C7H7IS and molecular weight 249.93 g/mol. IUPAC: (2-iodophenyl)methanethiol.
Chemical Property Profile of 2-Iodobenzylthio Group
Property Insights of 2-Iodobenzylthio Group
The XLogP value of 3.0 indicates that 2-Iodobenzylthio Group is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 1.0 Ų, 2-Iodobenzylthio Group exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodobenzylthio Group has 1 hydrogen bond donor(s) and 1 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-Iodobenzylthio Group?
The CAS number of 2-Iodobenzylthio Group is 115860-41-8.
What is the molecular formula of 2-Iodobenzylthio Group?
The molecular formula of 2-Iodobenzylthio Group is C7H7IS.
What is the molecular weight of 2-Iodobenzylthio Group?
The molecular weight of 2-Iodobenzylthio Group is 249.93 g/mol.
Where can I buy 2-Iodobenzylthio Group?
You can request a quote for 2-Iodobenzylthio Group directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodobenzylthio Group?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodobenzylthio Group and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.