3-Iodothiobenzamide
TL;DR: 3-Iodothiobenzamide (CAS 106749-16-0) is a chemical compound with molecular formula C7H6INS and molecular weight 262.92657 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-iodobenzenecarbothioamide
Also Known As: 3-Iodothiobenzamide, 3-Iodobenzothioamide, 3-iodo-thiobenzamide, 3-iodobenzenecarbothioamide, Benzenecarbothioamide,3-iodo-
Technical Specifications
| Molecular Formula | C7H6INS |
| Molecular Weight | 262.92657 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 58.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 262.92657 Da |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
| SMILES | C1=CC(=CC(=C1)I)C(=S)N |
| InChIKey | AKDKWPJNKCULKS-UHFFFAOYSA-N |
Chemical Property Profile of 3-Iodothiobenzamide
Property Insights of 3-Iodothiobenzamide
The XLogP value of 3.1 indicates that 3-Iodothiobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, 3-Iodothiobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Iodothiobenzamide 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
What is the CAS number of 3-Iodothiobenzamide?
The CAS number of 3-Iodothiobenzamide is 106749-16-0.
What is the molecular formula of 3-Iodothiobenzamide?
The molecular formula of 3-Iodothiobenzamide is C7H6INS.
What is the molecular weight of 3-Iodothiobenzamide?
The molecular weight of 3-Iodothiobenzamide is 262.92657 g/mol.
Where can I buy 3-Iodothiobenzamide?
You can request a quote for 3-Iodothiobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Iodothiobenzamide?
Yes, CoreyChem provides custom synthesis services for 3-Iodothiobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.