1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one
TL;DR: 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one (CAS 746614-96-0) is a chemical compound with molecular formula C12H11BrN2OS2 and molecular weight 341.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
Also Known As: AB00724179-01, 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one, 1-(4-bromophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
| Molecular Formula | C12H11BrN2OS2 |
|---|---|
| Molecular Weight | 341.95 g/mol |
| LogP | 3.97252 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.94962 |
| Heavy Atoms | 18 |
| Complexity | 553.45996 |
Chemical Identifiers
| CAS Number | 746614-96-0 |
|---|---|
| SMILES | CC1=NN=C(S1)SC(C)C(=O)C2=CC=C(C=C2)Br |
Product Overview
1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one (CAS 746614-96-0), with molecular formula C12H11BrN2OS2 and molecular weight 341.95 g/mol. IUPAC: 1-(4-bromophenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one.
Chemical Property Profile of 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one
Property Insights of 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one
The XLogP value of 3.97252 indicates that 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.85 Ų, 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one has 0 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 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one?
The CAS number of 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one is 746614-96-0.
What is the molecular formula of 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one?
The molecular formula of 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one is C12H11BrN2OS2.
What is the molecular weight of 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one?
The molecular weight of 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one is 341.95 g/mol.
Where can I buy 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one?
You can request a quote for 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.