![[5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone structure](/static/products/119/119701-69-8.png)
[5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone
TL;DR: [5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone (CAS 119701-69-8) is a chemical compound with molecular formula C14H11N3O2S2 and molecular weight 317.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone
Also Known As: 1-Brom-3-methyl-3-phenyl-butan, [5-imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone, [5-Imino-4-(4-methoxy-phenyl)-4,5-dihydro-[1,3,4]thiadiazol-2-yl]-thiophen-2-yl-methanone
| Molecular Formula | C14H11N3O2S2 |
|---|---|
| Molecular Weight | 317.03 g/mol |
| LogP | 2.71437 |
| Topological Polar Surface Area | 67.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.02927 |
| Heavy Atoms | 21 |
| Complexity | 816.7836 |
Chemical Identifiers
| CAS Number | 119701-69-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=N)SC(=N2)C(=O)C3=CC=CS3 |
Product Overview
[5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone (CAS 119701-69-8), with molecular formula C14H11N3O2S2 and molecular weight 317.03 g/mol. IUPAC: [5-imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone.
Chemical Property Profile of [5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone
Property Insights of [5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone
The XLogP value of 2.71437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone. The TPSA of 67.97 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone. Following Lipinski's Rule of Five, [5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone has 1 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 [5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone?
The CAS number of [5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone is 119701-69-8.
What is the molecular formula of [5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone?
The molecular formula of [5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone is C14H11N3O2S2.
What is the molecular weight of [5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone?
The molecular weight of [5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone is 317.03 g/mol.
Where can I buy [5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone?
You can request a quote for [5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone?
Yes, KEHONG BIO provides custom synthesis services for [5-Imino-4-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-thiophen-2-ylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.