![Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]- structure](/static/products/7638/76383-08-9.webp)
Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]-
TL;DR: Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]- (CAS 76383-08-9) is a chemical compound with molecular formula C16H14N2OS2 and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]phenol
Also Known As: Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]-, 2-((2-ETHYLSULFANYL-BENZOTHIAZOL-6-YLIMINO)-METHYL)-PHENOL, (6Z)-6-[[(2-ethylsulfanylbenzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one, 6-[[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one, (6E)-6-[[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C16H14N2OS2 |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.05475 |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 76383-08-9 |
|---|---|
| SMILES | CCSC1=NC2=C(S1)C=C(C=C2)N=CC3=CC=CC=C3O |
| InChIKey | PQGONUADXMGPFP-UHFFFAOYSA-N |
Product Overview
Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]- (CAS 76383-08-9), with molecular formula C16H14N2OS2 and molecular weight 314.05 g/mol. IUPAC: 2-[(2-ethylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]phenol.
Chemical Property Profile of Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]-
Property Insights of Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]-
The XLogP value of 4.5 indicates that Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]-. Following Lipinski's Rule of Five, Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]- 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 Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]-?
The CAS number of Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]- is 76383-08-9.
What is the molecular formula of Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]-?
The molecular formula of Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]- is C16H14N2OS2.
What is the molecular weight of Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]-?
The molecular weight of Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]- is 314.05 g/mol.
Where can I buy Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]-?
You can request a quote for Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-[[[2-(ethylthio)-6-benzothiazolyl]imino]methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.