9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)-
TL;DR: 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)- (CAS 3767-68-8) is a chemical compound with molecular formula C21H12N2O2S2 and molecular weight 388.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-4-(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione
Also Known As: 1-amino-4- anthraquinone, 1-Amino-4-(benzothiazol-2-ylthio)anthraquinone, 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)-, 1-amino-4-(benzo[d]thiazol-2-ylthio)anthracene-9,10-dione, 1-amino-4-(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione
| Molecular Formula | C21H12N2O2S2 |
|---|---|
| Molecular Weight | 388.03 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 388.03403 |
| Heavy Atoms | 27 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 3767-68-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)SC4=NC5=CC=CC=C5S4)N |
| InChIKey | LZBSRGGBVAHAED-UHFFFAOYSA-N |
Product Overview
9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)- (CAS 3767-68-8), with molecular formula C21H12N2O2S2 and molecular weight 388.03 g/mol. IUPAC: 1-amino-4-(1,3-benzothiazol-2-ylsulfanyl)anthracene-9,10-dione.
Chemical Property Profile of 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)-
Property Insights of 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)-
The XLogP value of 5.6 indicates that 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)-?
The CAS number of 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)- is 3767-68-8.
What is the molecular formula of 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)-?
The molecular formula of 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)- is C21H12N2O2S2.
What is the molecular weight of 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)-?
The molecular weight of 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)- is 388.03 g/mol.
Where can I buy 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)-?
You can request a quote for 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Anthracenedione, 1-amino-4-(2-benzothiazolylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.