(E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide
TL;DR: (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide (CAS 1164555-45-6) is a chemical compound with molecular formula C13H16N2OS2 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-N-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)methanimine oxide
Also Known As: (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide, 5-[(E)-benzylidene(oxido)-lambda~5~-azanyl]-3,4,4-trimethyl-1,3-thiazolidine-2-thione
| Molecular Formula | C13H16N2OS2 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 2.684 |
| Topological Polar Surface Area | 29.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.0704 |
| Heavy Atoms | 18 |
| Complexity | 485.0244 |
Chemical Identifiers
| CAS Number | 1164555-45-6 |
|---|---|
| SMILES | CC1(C(SC(=S)N1C)/[N+](=C\C2=CC=CC=C2)/[O-])C |
Product Overview
(E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide (CAS 1164555-45-6), with molecular formula C13H16N2OS2 and molecular weight 280.07 g/mol. IUPAC: 1-phenyl-N-(3,4,4-trimethyl-2-sulfanylidene-1,3-thiazolidin-5-yl)methanimine oxide.
Chemical Property Profile of (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide
Property Insights of (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide
The XLogP value of 2.684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide. With a topological polar surface area (TPSA) of 29.31 Ų, (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide has 0 hydrogen bond donor(s) and 3 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 (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide?
The CAS number of (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide is 1164555-45-6.
What is the molecular formula of (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide?
The molecular formula of (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide is C13H16N2OS2.
What is the molecular weight of (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide?
The molecular weight of (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide is 280.07 g/mol.
Where can I buy (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide?
You can request a quote for (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-benzylidene-3,4,4-trimethyl-2-thioxothiazolidin-5-amine oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.