![(6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one structure](/static/products/7638/76383-20-5.webp)
(6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one
TL;DR: (6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one (CAS 76383-20-5) is a chemical compound with molecular formula C21H16N2OS2 and molecular weight 376.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-benzylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]phenol
Also Known As: (6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one, 6-[[(2-benzylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one, (6Z)-6-[[(2-benzylsulfanyl-1,3-benzothiazol-6-yl)amino]methylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C21H16N2OS2 |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.0704 |
| Heavy Atoms | 26 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 76383-20-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC3=C(S2)C=C(C=C3)N=CC4=CC=CC=C4O |
| InChIKey | ODJHYWOPWSOUPI-UHFFFAOYSA-N |
Product Overview
(6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one (CAS 76383-20-5), with molecular formula C21H16N2OS2 and molecular weight 376.07 g/mol. IUPAC: 2-[(2-benzylsulfanyl-1,3-benzothiazol-6-yl)iminomethyl]phenol.
Chemical Property Profile of (6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one
Property Insights of (6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one
The XLogP value of 5.7 indicates that (6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one 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-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one. Following Lipinski's Rule of Five, (6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one?
The CAS number of (6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one is 76383-20-5.
What is the molecular formula of (6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one?
The molecular formula of (6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one is C21H16N2OS2.
What is the molecular weight of (6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one?
The molecular weight of (6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one is 376.07 g/mol.
Where can I buy (6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one?
You can request a quote for (6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one 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-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for (6E)-6-({[2-(Benzylsulfanyl)-1,3-benzothiazol-6-yl]amino}methylidene)cyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.