2-(1,3-Benzothiazol-2-yliminomethyl)phenol
TL;DR: 2-(1,3-Benzothiazol-2-yliminomethyl)phenol (CAS 16779-08-1) is a chemical compound with molecular formula C14H10N2OS and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yliminomethyl)phenol
Also Known As: 2-(benzothiazol-2-yliminomethyl)phenol, alpha-(2-benzothiazolylimino)-o-cresol, 2-(benzothiazol-2-yliminomethyl)-phenol, Phenol, 2-[(2-benzothiazolylimino)methyl]-, 6-[(1,3-benzothiazol-2-ylamino)methylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C14H10N2OS |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 73.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.05139 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 16779-08-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NC2=NC3=CC=CC=C3S2)O |
| InChIKey | QHXJLHSKVDZVOA-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzothiazol-2-yliminomethyl)phenol (CAS 16779-08-1), with molecular formula C14H10N2OS and molecular weight 254.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yliminomethyl)phenol.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yliminomethyl)phenol
Property Insights of 2-(1,3-Benzothiazol-2-yliminomethyl)phenol
The XLogP value of 3.7 indicates that 2-(1,3-Benzothiazol-2-yliminomethyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzothiazol-2-yliminomethyl)phenol. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yliminomethyl)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-(1,3-Benzothiazol-2-yliminomethyl)phenol?
The CAS number of 2-(1,3-Benzothiazol-2-yliminomethyl)phenol is 16779-08-1.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yliminomethyl)phenol?
The molecular formula of 2-(1,3-Benzothiazol-2-yliminomethyl)phenol is C14H10N2OS.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yliminomethyl)phenol?
The molecular weight of 2-(1,3-Benzothiazol-2-yliminomethyl)phenol is 254.05 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yliminomethyl)phenol?
You can request a quote for 2-(1,3-Benzothiazol-2-yliminomethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-yliminomethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yliminomethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.