(6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]
TL;DR: (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino] (CAS 76383-11-4) is a chemical compound with molecular formula C17H14N2OS2 and molecular weight 326.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]phenol
Also Known As: (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino], 2-((E)-{[2-(allylthio)-1,3-benzothiazol-6-yl]imino}methyl)phenol, (6E)-6-[({2-[(Prop-2-en-1-yl)sulfanyl]-1,3-benzothiazol-6-yl}amino)methylidene]cyclohexa-2,4-dien-1-one, (6Z)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one, 6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C17H14N2OS2 |
|---|---|
| Molecular Weight | 326.05 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.05475 |
| Heavy Atoms | 22 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 76383-11-4 |
|---|---|
| SMILES | C=CCSC1=NC2=C(S1)C=C(C=C2)N=CC3=CC=CC=C3O |
| InChIKey | ZWPBLWYDADPJLU-UHFFFAOYSA-N |
Product Overview
(6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino] (CAS 76383-11-4), with molecular formula C17H14N2OS2 and molecular weight 326.05 g/mol. IUPAC: 2-[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]phenol.
Chemical Property Profile of (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]
Property Insights of (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]
The XLogP value of 4.8 indicates that (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino] 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 (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]. Following Lipinski's Rule of Five, (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino] 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 (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]?
The CAS number of (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino] is 76383-11-4.
What is the molecular formula of (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]?
The molecular formula of (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino] is C17H14N2OS2.
What is the molecular weight of (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]?
The molecular weight of (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino] is 326.05 g/mol.
Where can I buy (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]?
You can request a quote for (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino]?
Yes, KEHONG BIO provides custom synthesis services for (6E)-6-[[(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)amino] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.