2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide
TL;DR: 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide (CAS 84125-27-9) is a chemical compound with molecular formula C9H17NOS and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-2-methyloxane-4-carbothioamide
Also Known As: 2-ethyl-2-methyloxane-4-carbothioamide, 2-ethyl-2-methyl-4-oxanecarbothioamide, 2-ethyl-2-methyl-oxane-4-carbothioamide, 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide, 2-ethyl-2-methyltetrahydro-2H-pyran-4-carbothioamide
| Molecular Formula | C9H17NOS |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 1.8678 |
| Topological Polar Surface Area | 35.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.10309 |
| Heavy Atoms | 12 |
| Complexity | 183.36736 |
Chemical Identifiers
| CAS Number | 84125-27-9 |
|---|---|
| SMILES | CCC1(CC(CCO1)C(=S)N)C |
Product Overview
2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide (CAS 84125-27-9), with molecular formula C9H17NOS and molecular weight 187.10 g/mol. IUPAC: 2-ethyl-2-methyloxane-4-carbothioamide.
Chemical Property Profile of 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide
Property Insights of 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide
The XLogP value of 1.8678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide. With a topological polar surface area (TPSA) of 35.25 Ų, 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide 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 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide?
The CAS number of 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide is 84125-27-9.
What is the molecular formula of 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide?
The molecular formula of 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide is C9H17NOS.
What is the molecular weight of 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide?
The molecular weight of 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide is 187.10 g/mol.
Where can I buy 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide?
You can request a quote for 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyltetrahydro-2-methyl-2H-pyran-4-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.