2-Benzothiazolyl sulfide
TL;DR: 2-Benzothiazolyl sulfide (CAS 4074-77-5) is a chemical compound with molecular formula C14H8N2S3 and molecular weight 299.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-1,3-benzothiazole
Also Known As: 2-benzothiazolyl sulfide, benzothiazolyl thioether, di(2-benzothiazolyl) sulfide, 2,2 -Thiobisbenzothiazole, Bis(benzo[d]thiazol-2-yl)sulfane
| Molecular Formula | C14H8N2S3 |
|---|---|
| Molecular Weight | 299.98 g/mol |
| LogP | 5.0572 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.98495 |
| Heavy Atoms | 19 |
| Complexity | 725.02954 |
Chemical Identifiers
| CAS Number | 4074-77-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3=NC4=CC=CC=C4S3 |
Product Overview
2-Benzothiazolyl sulfide (CAS 4074-77-5), with molecular formula C14H8N2S3 and molecular weight 299.98 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-1,3-benzothiazole.
Chemical Property Profile of 2-Benzothiazolyl sulfide
Property Insights of 2-Benzothiazolyl sulfide
The XLogP value of 5.0572 indicates that 2-Benzothiazolyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2-Benzothiazolyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzothiazolyl sulfide has 0 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 2-Benzothiazolyl sulfide?
The CAS number of 2-Benzothiazolyl sulfide is 4074-77-5.
What is the molecular formula of 2-Benzothiazolyl sulfide?
The molecular formula of 2-Benzothiazolyl sulfide is C14H8N2S3.
What is the molecular weight of 2-Benzothiazolyl sulfide?
The molecular weight of 2-Benzothiazolyl sulfide is 299.98 g/mol.
Where can I buy 2-Benzothiazolyl sulfide?
You can request a quote for 2-Benzothiazolyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzothiazolyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzothiazolyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.