2-Ethyl-3,4-dihydro-2H-1-benzothiopyran
TL;DR: 2-Ethyl-3,4-dihydro-2H-1-benzothiopyran (CAS 54549-73-4) is a chemical compound with molecular formula C11H14S and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-3,4-dihydro-2H-thiochromene
Also Known As: 2-Ethylthiochromane, 2-Ethylthiochromane #, 2-Ethyl-3,4-dihydro-2H-1-benzothiopyran, 2-ethyl-3,4-dihydro-2H-thiochromene, 2H-1-Benzothiopyran, 2-ethyl-3,4-dihydro-
| Molecular Formula | C11H14S |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.08162 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 54549-73-4 |
|---|---|
| SMILES | CCC1CCC2=CC=CC=C2S1 |
| InChIKey | JEOFYSADSTVPCF-UHFFFAOYSA-N |
Product Overview
2-Ethyl-3,4-dihydro-2H-1-benzothiopyran (CAS 54549-73-4), with molecular formula C11H14S and molecular weight 178.08 g/mol. IUPAC: 2-ethyl-3,4-dihydro-2H-thiochromene.
Chemical Property Profile of 2-Ethyl-3,4-dihydro-2H-1-benzothiopyran
Property Insights of 2-Ethyl-3,4-dihydro-2H-1-benzothiopyran
The XLogP value of 3.8 indicates that 2-Ethyl-3,4-dihydro-2H-1-benzothiopyran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, 2-Ethyl-3,4-dihydro-2H-1-benzothiopyran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-3,4-dihydro-2H-1-benzothiopyran has 0 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-Ethyl-3,4-dihydro-2H-1-benzothiopyran?
The CAS number of 2-Ethyl-3,4-dihydro-2H-1-benzothiopyran is 54549-73-4.
What is the molecular formula of 2-Ethyl-3,4-dihydro-2H-1-benzothiopyran?
The molecular formula of 2-Ethyl-3,4-dihydro-2H-1-benzothiopyran is C11H14S.
What is the molecular weight of 2-Ethyl-3,4-dihydro-2H-1-benzothiopyran?
The molecular weight of 2-Ethyl-3,4-dihydro-2H-1-benzothiopyran is 178.08 g/mol.
Where can I buy 2-Ethyl-3,4-dihydro-2H-1-benzothiopyran?
You can request a quote for 2-Ethyl-3,4-dihydro-2H-1-benzothiopyran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-3,4-dihydro-2H-1-benzothiopyran?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-3,4-dihydro-2H-1-benzothiopyran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.