ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate
TL;DR: ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate (CAS 354792-80-6) is a chemical compound with molecular formula C14H13NO2S2 and molecular weight 291.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-5-phenyl-6-sulfanylidenethiopyran-3-carboxylate
Also Known As: AO-159/37342027, ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate, ethyl 2-amino-5-phenyl-6-sulfanylidenethiopyran-3-carboxylate
| Molecular Formula | C14H13NO2S2 |
|---|---|
| Molecular Weight | 291.04 g/mol |
| LogP | 3.90349 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.03876 |
| Heavy Atoms | 19 |
| Complexity | 650.2407 |
Chemical Identifiers
| CAS Number | 354792-80-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=S)C(=C1)C2=CC=CC=C2)N |
Product Overview
ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate (CAS 354792-80-6), with molecular formula C14H13NO2S2 and molecular weight 291.04 g/mol. IUPAC: ethyl 2-amino-5-phenyl-6-sulfanylidenethiopyran-3-carboxylate.
Chemical Property Profile of ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate
Property Insights of ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate
The XLogP value of 3.90349 indicates that ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.32 Ų, ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate has 1 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 ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate?
The CAS number of ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate is 354792-80-6.
What is the molecular formula of ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate?
The molecular formula of ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate is C14H13NO2S2.
What is the molecular weight of ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate?
The molecular weight of ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate is 291.04 g/mol.
Where can I buy ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate?
You can request a quote for ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-imino-5-phenyl-6-sulfanyl-2H-thiopyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.