2-(Benzyldisulfanyl)-1,3-benzothiazole
TL;DR: 2-(Benzyldisulfanyl)-1,3-benzothiazole (CAS 27639-57-2) is a chemical compound with molecular formula C14H11NS3 and molecular weight 289.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzyldisulfanyl)-1,3-benzothiazole
Also Known As: 2-Benzothiazolyl benzyl disulfide, 2-(Benzyldisulfanyl)-1,3-benzothiazole, (Benzothiazol-2-yl)benzyl persulfide, Benzothiazole, 2-[(phenylmethyl)dithio]-, 2-(Benzyldisulfanyl)-1,3-benzothiazole #
| Molecular Formula | C14H11NS3 |
|---|---|
| Molecular Weight | 289.01 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.00537 |
| Heavy Atoms | 18 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 27639-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSSC2=NC3=CC=CC=C3S2 |
| InChIKey | ZHRUTKMJRWNGFI-UHFFFAOYSA-N |
Product Overview
2-(Benzyldisulfanyl)-1,3-benzothiazole (CAS 27639-57-2), with molecular formula C14H11NS3 and molecular weight 289.01 g/mol. IUPAC: 2-(benzyldisulfanyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(Benzyldisulfanyl)-1,3-benzothiazole
Property Insights of 2-(Benzyldisulfanyl)-1,3-benzothiazole
The XLogP value of 4.8 indicates that 2-(Benzyldisulfanyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzyldisulfanyl)-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-(Benzyldisulfanyl)-1,3-benzothiazole has 0 hydrogen bond donor(s) and 4 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 2-(Benzyldisulfanyl)-1,3-benzothiazole?
The CAS number of 2-(Benzyldisulfanyl)-1,3-benzothiazole is 27639-57-2.
What is the molecular formula of 2-(Benzyldisulfanyl)-1,3-benzothiazole?
The molecular formula of 2-(Benzyldisulfanyl)-1,3-benzothiazole is C14H11NS3.
What is the molecular weight of 2-(Benzyldisulfanyl)-1,3-benzothiazole?
The molecular weight of 2-(Benzyldisulfanyl)-1,3-benzothiazole is 289.01 g/mol.
Where can I buy 2-(Benzyldisulfanyl)-1,3-benzothiazole?
You can request a quote for 2-(Benzyldisulfanyl)-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzyldisulfanyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzyldisulfanyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.