Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)
TL;DR: Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) (CAS 5343-00-0) is a chemical compound with molecular formula C13H19NO4S3 and molecular weight 349.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-ethylsulfanyl-1,3-benzothiazol-3-ium;ethyl sulfate
Also Known As: Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate, 3-ethyl-2-(ethylsulfanyl)-1,3-benzothiazol-3-ium ethyl sulfate, Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1), 3-ethyl-2-ethylsulfanyl-1,3-benzothiazol-3-ium,ethyl sulfate, 3-ethyl-2-ethylsulfanyl-1,3-benzothiazol-3-ium; ethyl sulfate
| Molecular Formula | C13H19NO4S3 |
|---|---|
| Molecular Weight | 349.05 g/mol |
| LogP | 2.8038 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.0476 |
| Heavy Atoms | 21 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 5343-00-0 |
|---|---|
| SMILES | CC[N+]1=C(SC2=CC=CC=C21)SCC.CCOS(=O)(=O)[O-] |
| InChIKey | ZYOSHLCKKQCQKN-UHFFFAOYSA-M |
Product Overview
Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) (CAS 5343-00-0), with molecular formula C13H19NO4S3 and molecular weight 349.05 g/mol. IUPAC: 3-ethyl-2-ethylsulfanyl-1,3-benzothiazol-3-ium;ethyl sulfate.
Chemical Property Profile of Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)
Property Insights of Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)
The XLogP value of 2.8038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1). The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1). Following Lipinski's Rule of Five, Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) has 0 hydrogen bond donor(s) and 6 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 Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)?
The CAS number of Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) is 5343-00-0.
What is the molecular formula of Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)?
The molecular formula of Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) is C13H19NO4S3.
What is the molecular weight of Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)?
The molecular weight of Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) is 349.05 g/mol.
Where can I buy Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)?
You can request a quote for Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazolium, 3-ethyl-2-(ethylthio)-, ethyl sulfate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.