5-Iodo-2-methyl-1,3-benzothiazole
TL;DR: 5-Iodo-2-methyl-1,3-benzothiazole (CAS 90414-61-2) is a chemical compound with molecular formula C8H6INS and molecular weight 274.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-iodo-2-methyl-1,3-benzothiazole
Also Known As: 5-Iodo-2-methyl-1,3-benzothiazole, 5-Iodo-2-methylbenzo[d]thiazole, 5-iodo-2-methylbenzothiazole, 5-Iodo-2-methyl-benzothiazole, 5-Iodo-2-methyl-1,3-benzothiazole #
| Molecular Formula | C8H6INS |
|---|---|
| Molecular Weight | 274.93 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.92657 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 90414-61-2 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=CC(=C2)I |
| InChIKey | UUODOEGHZZBDBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Iodo-2-methyl-1,3-benzothiazole (CAS 90414-61-2), with molecular formula C8H6INS and molecular weight 274.93 g/mol. IUPAC: 5-iodo-2-methyl-1,3-benzothiazole.
Chemical Property Profile of 5-Iodo-2-methyl-1,3-benzothiazole
Property Insights of 5-Iodo-2-methyl-1,3-benzothiazole
The XLogP value of 3.4 indicates that 5-Iodo-2-methyl-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 5-Iodo-2-methyl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Iodo-2-methyl-1,3-benzothiazole 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 5-Iodo-2-methyl-1,3-benzothiazole?
The CAS number of 5-Iodo-2-methyl-1,3-benzothiazole is 90414-61-2.
What is the molecular formula of 5-Iodo-2-methyl-1,3-benzothiazole?
The molecular formula of 5-Iodo-2-methyl-1,3-benzothiazole is C8H6INS.
What is the molecular weight of 5-Iodo-2-methyl-1,3-benzothiazole?
The molecular weight of 5-Iodo-2-methyl-1,3-benzothiazole is 274.93 g/mol.
Where can I buy 5-Iodo-2-methyl-1,3-benzothiazole?
You can request a quote for 5-Iodo-2-methyl-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Iodo-2-methyl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Iodo-2-methyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.