C18H18N2O4S
TL;DR: C18H18N2O4S (CAS 139721-92-9) is a chemical compound with molecular formula C18H18N2O4S and molecular weight 358.09872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(E)-(4-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-[(4-nitrobenzylidene)amino]-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxylate, ethyl 2-{[(E)-(4-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, (E)-ethyl 2-((4-nitrobenzylidene)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, Ethyl 4,5,6,7-tetrahydro-2-(4-nitrobenzylideneamino)benzo[b]thiophene-3-carboxylate, Ethyl 2-([(E)-(4-nitrophenyl)methylidene]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate #
Technical Specifications
| Molecular Formula | C18H18N2O4S |
| Molecular Weight | 358.09872 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.09872 Da |
| Heavy Atoms | 25 |
| Complexity | 514.0 |
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)/N=C/C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | HSALOSWBFWRGFT-YBFXNURJSA-N |
Chemical Property Profile of C18H18N2O4S
Property Insights of C18H18N2O4S
The XLogP value of 4.5 indicates that C18H18N2O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H18N2O4S. Following Lipinski's Rule of Five, C18H18N2O4S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C18H18N2O4S?
The CAS number of C18H18N2O4S is 139721-92-9.
What is the molecular formula of C18H18N2O4S?
The molecular formula of C18H18N2O4S is C18H18N2O4S.
What is the molecular weight of C18H18N2O4S?
The molecular weight of C18H18N2O4S is 358.09872 g/mol.
Where can I buy C18H18N2O4S?
You can request a quote for C18H18N2O4S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C18H18N2O4S?
Yes, CoreyChem provides custom synthesis services for C18H18N2O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.