1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone
TL;DR: 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone (CAS 690694-13-4) is a chemical compound with molecular formula C14H17N3OS2 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2,4,6-trimethylphenyl]ethanone
Also Known As: 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone, 1-(3-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2,4,6-trimethylphenyl)ethanone, 1-(3-{[(5-amino-1,3,4-thiadiazol-2-yl)thio]methyl}-2,4,6-trimethylphenyl)ethanone, 1-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2,4,6-trimethylphenyl]ethanone
| Molecular Formula | C14H17N3OS2 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 3.54046 |
| Topological Polar Surface Area | 68.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.0813 |
| Heavy Atoms | 20 |
| Complexity | 664.6789 |
Chemical Identifiers
| CAS Number | 690694-13-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CSC2=NN=C(S2)N)C)C(=O)C)C |
Product Overview
1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone (CAS 690694-13-4), with molecular formula C14H17N3OS2 and molecular weight 307.08 g/mol. IUPAC: 1-[3-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2,4,6-trimethylphenyl]ethanone.
Chemical Property Profile of 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone
Property Insights of 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone
The XLogP value of 3.54046 indicates that 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone. Following Lipinski's Rule of Five, 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone 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 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone?
The CAS number of 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone is 690694-13-4.
What is the molecular formula of 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone?
The molecular formula of 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone is C14H17N3OS2.
What is the molecular weight of 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone?
The molecular weight of 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone is 307.08 g/mol.
Where can I buy 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone?
You can request a quote for 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(((5-amino-1,3,4-thiadiazol-2-yl)thio)methyl)-2,4,6-trimethylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.