C9H11N3OS4
TL;DR: C9H11N3OS4 (CAS 3891-77-8) is a chemical compound with molecular formula C9H11N3OS4 and molecular weight 304.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-5-(3-methyl-5-methylsulfanyl-1,3,4-thiadiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-Ethyl-5-(3-methyl-5-(methylthio)-1,3,4-thiadiazol-2(3H)-ylidene)rhodanine, 3-ETHYL-5-[3-METHYL-5-(METHYLTHIO)-1,3,4-THIADIAZOL-2(3H)-YLIDENE]RHODANINE, Rhodanine, 3-ethyl-5-[4-methyl-2-(methylthio)-.delta.2-1,3,4-thiadiazolin-5-ylidene]-, 3-Ethyl-5-[3-methyl-5-(methylsulfanyl)-1,3,4-thiadiazol-2(3H)-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-Ethyl-5-[3-methyl-5-(methylthio)-1,3,4-thiadiazol-2(3H)-ylidene]-2-thioxo-4-thiazolidinone
| Molecular Formula | C9H11N3OS4 |
|---|---|
| Molecular Weight | 304.98 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.9785 |
| Heavy Atoms | 17 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 3891-77-8 |
|---|---|
| SMILES | CCN1C(=O)C(=C2N(N=C(S2)SC)C)SC1=S |
| InChIKey | OTIHSEDAOTZRGC-UHFFFAOYSA-N |
Product Overview
C9H11N3OS4 (CAS 3891-77-8), with molecular formula C9H11N3OS4 and molecular weight 304.98 g/mol. IUPAC: 3-ethyl-5-(3-methyl-5-methylsulfanyl-1,3,4-thiadiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of C9H11N3OS4
Property Insights of C9H11N3OS4
The XLogP value of 3.1 indicates that C9H11N3OS4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting C9H11N3OS4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C9H11N3OS4 has 0 hydrogen bond donor(s) and 7 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 C9H11N3OS4?
The CAS number of C9H11N3OS4 is 3891-77-8.
What is the molecular formula of C9H11N3OS4?
The molecular formula of C9H11N3OS4 is C9H11N3OS4.
What is the molecular weight of C9H11N3OS4?
The molecular weight of C9H11N3OS4 is 304.98 g/mol.
Where can I buy C9H11N3OS4?
You can request a quote for C9H11N3OS4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C9H11N3OS4?
Yes, KEHONG BIO provides custom synthesis services for C9H11N3OS4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.