![2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol structure](/static/products/5074/507459-12-3.webp)
2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol
TL;DR: 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol (CAS 507459-12-3) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-1,1-dioxothiolan-3-yl)iminomethyl]phenol
Also Known As: 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol, 3-[(1E)-2-(2-hydroxyphenyl)-1-azavinyl]-3-methylthiolane-1,1-dione, (6E)-6-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methylidene]cyclohexa-2,4-dien-1-one, 6-[[(3-methyl-1,1-dioxothiolan-3-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C12H15NO3S |
|---|---|
| Molecular Weight | 253.08 g/mol |
| LogP | 1.3883 |
| Topological Polar Surface Area | 66.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.07727 |
| Heavy Atoms | 17 |
| Complexity | 550.6241 |
Chemical Identifiers
| CAS Number | 507459-12-3 |
|---|---|
| SMILES | CC1(CCS(=O)(=O)C1)N=CC2=CC=CC=C2O |
Product Overview
2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol (CAS 507459-12-3), with molecular formula C12H15NO3S and molecular weight 253.08 g/mol. IUPAC: 2-[(3-methyl-1,1-dioxothiolan-3-yl)iminomethyl]phenol.
Chemical Property Profile of 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol
Property Insights of 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol
The XLogP value of 1.3883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol. The TPSA of 66.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol. Following Lipinski's Rule of Five, 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol has 1 hydrogen bond donor(s) and 4 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 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol?
The CAS number of 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol is 507459-12-3.
What is the molecular formula of 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol?
The molecular formula of 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol is C12H15NO3S.
What is the molecular weight of 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol?
The molecular weight of 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol is 253.08 g/mol.
Where can I buy 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol?
You can request a quote for 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-{(E)-[(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)imino]methyl}phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.