But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide
TL;DR: But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide (CAS 117596-36-8) 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.
but-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide
Also Known As: (2-(Phenylthio)phenyl)acetamidine maleate, Acetamidine, 2-(2-(phenylthio)phenyl)-, (Z)-2-butenedioate (1:1), Benzeneethanimidamide, 2-(phenylthio)-, (Z)-2-butenedioate (1:1)
Technical Specifications
| Molecular Formula | C18H18N2O4S |
| Molecular Weight | 358.09872 g/mol |
| XLogP | 3.02807 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.09872 Da |
| Heavy Atoms | 25 |
| Complexity | 368.0 |
| SMILES | C1=CC=C(C=C1)SC2=CC=CC=C2CC(=N)N.C(=CC(=O)O)C(=O)O |
| InChIKey | GXELJWIVEINJIV-UHFFFAOYSA-N |
Chemical Property Profile of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide
Property Insights of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide
The XLogP value of 3.02807 indicates that But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide has 4 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 But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide?
The CAS number of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide is 117596-36-8.
What is the molecular formula of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide?
The molecular formula of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide is C18H18N2O4S.
What is the molecular weight of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide?
The molecular weight of But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide is 358.09872 g/mol.
Where can I buy But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide?
You can request a quote for But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide?
Yes, CoreyChem provides custom synthesis services for But-2-enedioic acid;2-(2-phenylsulfanylphenyl)ethanimidamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.