5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone
TL;DR: 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone (CAS 10513-27-6) is a chemical compound with molecular formula C9H10INOS and molecular weight 306.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodo-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
Also Known As: 2-Iodo-5,5-dimethyl-5,6-dihydro-4H-benzothiazol-7-one, 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone, 2-iodo-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one, 2-Iodo-5,5-dimethyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one, 2-Iodo-5,5-dimethyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one #
| Molecular Formula | C9H10INOS |
|---|---|
| Molecular Weight | 306.95 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.9528 |
| Heavy Atoms | 13 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 10513-27-6 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)SC(=N2)I)C |
| InChIKey | XEMKJWXJFNPXSE-UHFFFAOYSA-N |
Product Overview
5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone (CAS 10513-27-6), with molecular formula C9H10INOS and molecular weight 306.95 g/mol. IUPAC: 2-iodo-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one.
Chemical Property Profile of 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone
Property Insights of 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone. With a topological polar surface area (TPSA) of 58.2 Ų, 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone has 0 hydrogen bond donor(s) and 3 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 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone?
The CAS number of 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone is 10513-27-6.
What is the molecular formula of 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone?
The molecular formula of 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone is C9H10INOS.
What is the molecular weight of 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone?
The molecular weight of 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone is 306.95 g/mol.
Where can I buy 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone?
You can request a quote for 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dihydro-2-iodo-5,5-dimethyl-7(4H)-benzothiazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.