3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one
TL;DR: 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one (CAS 477875-84-6) is a chemical compound with molecular formula C16H16N4OS and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydrothioxanthen-9-one
Also Known As: 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one, 3-ethyl-6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydrothioxanthen-9-one, 3-Ethyl-6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one, 9H-Thioxanthen-9-one, 3-ethyl-1,2,3,4-tetrahydro-6-(1H-tetrazol-5-yl)-
| Molecular Formula | C16H16N4OS |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 2.9565 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.1045 |
| Heavy Atoms | 22 |
| Complexity | 885.04236 |
Chemical Identifiers
| CAS Number | 477875-84-6 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC3=C(C2=O)C=CC(=C3)C4=NNN=N4 |
Product Overview
3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one (CAS 477875-84-6), with molecular formula C16H16N4OS and molecular weight 312.10 g/mol. IUPAC: 3-ethyl-6-(2H-tetrazol-5-yl)-1,2,3,4-tetrahydrothioxanthen-9-one.
Chemical Property Profile of 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one
Property Insights of 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one
The XLogP value of 2.9565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one. Following Lipinski's Rule of Five, 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one has 1 hydrogen bond donor(s) and 5 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 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one?
The CAS number of 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one is 477875-84-6.
What is the molecular formula of 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one?
The molecular formula of 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one is C16H16N4OS.
What is the molecular weight of 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one?
The molecular weight of 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one is 312.10 g/mol.
Where can I buy 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one?
You can request a quote for 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-6-(1H-tetrazol-5-yl)-1,2,3,4-tetrahydro-9H-thioxanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.