Benzothiazole, 2,2'-dithiobis[6-nitro-
TL;DR: Benzothiazole, 2,2'-dithiobis[6-nitro- (CAS 121579-06-4) is a chemical compound with molecular formula C14H6N4O4S4 and molecular weight 421.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2-[(6-nitro-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
Also Known As: Benzothiazole, 2,2'-dithiobis[6-nitro-, di6-nitrobenzothiazol-2-yl disulfide, 6-nitrobenzothiazol-2-yl disulfide, Bis(6-nitrobenzothiazole-2-yl) persulfide, J2.426.865I
| Molecular Formula | C14H6N4O4S4 |
|---|---|
| Molecular Weight | 421.93 g/mol |
| LogP | 5.5218 |
| Topological Polar Surface Area | 112.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.9272 |
| Heavy Atoms | 26 |
| Complexity | 1080.3965 |
Chemical Identifiers
| CAS Number | 121579-06-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-] |
Product Overview
Benzothiazole, 2,2'-dithiobis[6-nitro- (CAS 121579-06-4), with molecular formula C14H6N4O4S4 and molecular weight 421.93 g/mol. IUPAC: 6-nitro-2-[(6-nitro-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2,2'-dithiobis[6-nitro-
Property Insights of Benzothiazole, 2,2'-dithiobis[6-nitro-
The XLogP value of 5.5218 indicates that Benzothiazole, 2,2'-dithiobis[6-nitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 2,2'-dithiobis[6-nitro-. Following Lipinski's Rule of Five, Benzothiazole, 2,2'-dithiobis[6-nitro- has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzothiazole, 2,2'-dithiobis[6-nitro-?
The CAS number of Benzothiazole, 2,2'-dithiobis[6-nitro- is 121579-06-4.
What is the molecular formula of Benzothiazole, 2,2'-dithiobis[6-nitro-?
The molecular formula of Benzothiazole, 2,2'-dithiobis[6-nitro- is C14H6N4O4S4.
What is the molecular weight of Benzothiazole, 2,2'-dithiobis[6-nitro-?
The molecular weight of Benzothiazole, 2,2'-dithiobis[6-nitro- is 421.93 g/mol.
Where can I buy Benzothiazole, 2,2'-dithiobis[6-nitro-?
You can request a quote for Benzothiazole, 2,2'-dithiobis[6-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2,2'-dithiobis[6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2,2'-dithiobis[6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.