2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl-
TL;DR: 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl- (CAS 656817-16-2) is a chemical compound with molecular formula C11H13NOS and molecular weight 207.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-6-methyl-4H-1,4-benzoxazine-3-thione
Also Known As: ChemDiv3_013044, 2-ethyl-6-methyl-4H-1,4-benzoxazine-3-thione, 2H-1,4-BENZOXAZINE-3(4H)-THIONE, 2-ETHYL-6-METHYL-, 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl- (9CI)
| Molecular Formula | C11H13NOS |
|---|---|
| Molecular Weight | 207.07 g/mol |
| LogP | 2.90532 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.0718 |
| Heavy Atoms | 14 |
| Complexity | 375.55032 |
Chemical Identifiers
| CAS Number | 656817-16-2 |
|---|---|
| SMILES | CCC1C(=S)NC2=C(O1)C=CC(=C2)C |
Product Overview
2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl- (CAS 656817-16-2), with molecular formula C11H13NOS and molecular weight 207.07 g/mol. IUPAC: 2-ethyl-6-methyl-4H-1,4-benzoxazine-3-thione.
Chemical Property Profile of 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl-
Property Insights of 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl-
The XLogP value of 2.90532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl-. With a topological polar surface area (TPSA) of 21.26 Ų, 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl- has 1 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 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl-?
The CAS number of 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl- is 656817-16-2.
What is the molecular formula of 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl-?
The molecular formula of 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl- is C11H13NOS.
What is the molecular weight of 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl-?
The molecular weight of 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl- is 207.07 g/mol.
Where can I buy 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl-?
You can request a quote for 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Benzoxazine-3(4H)-thione, 2-ethyl-6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.