Benzothiazole, 2-(4-chloro-2-butynylthio)-
TL;DR: Benzothiazole, 2-(4-chloro-2-butynylthio)- (CAS 73713-85-6) is a chemical compound with molecular formula C11H8ClNS2 and molecular weight 252.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorobut-2-ynylsulfanyl)-1,3-benzothiazole
Also Known As: 2- benzothiazole, 2-(4-Chloro-2-butynylthio)benzothiazole, BENZOTHIAZOLE, 2-(4-CHLORO-2-BUTYNYLTHIO)-, 2-(4'-Chloro-2'-butynylmercapto)benzothiazole, 2-(4-chlorobut-2-ynylsulfanyl)-1,3-benzothiazole
| Molecular Formula | C11H8ClNS2 |
|---|---|
| Molecular Weight | 252.98 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.97867 |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 73713-85-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC#CCCl |
| InChIKey | XGXAIEIOAYNUGM-UHFFFAOYSA-N |
Product Overview
Benzothiazole, 2-(4-chloro-2-butynylthio)- (CAS 73713-85-6), with molecular formula C11H8ClNS2 and molecular weight 252.98 g/mol. IUPAC: 2-(4-chlorobut-2-ynylsulfanyl)-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-(4-chloro-2-butynylthio)-
Property Insights of Benzothiazole, 2-(4-chloro-2-butynylthio)-
The XLogP value of 3.8 indicates that Benzothiazole, 2-(4-chloro-2-butynylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 2-(4-chloro-2-butynylthio)-. Following Lipinski's Rule of Five, Benzothiazole, 2-(4-chloro-2-butynylthio)- has 0 hydrogen bond donor(s) and 3 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 Benzothiazole, 2-(4-chloro-2-butynylthio)-?
The CAS number of Benzothiazole, 2-(4-chloro-2-butynylthio)- is 73713-85-6.
What is the molecular formula of Benzothiazole, 2-(4-chloro-2-butynylthio)-?
The molecular formula of Benzothiazole, 2-(4-chloro-2-butynylthio)- is C11H8ClNS2.
What is the molecular weight of Benzothiazole, 2-(4-chloro-2-butynylthio)-?
The molecular weight of Benzothiazole, 2-(4-chloro-2-butynylthio)- is 252.98 g/mol.
Where can I buy Benzothiazole, 2-(4-chloro-2-butynylthio)-?
You can request a quote for Benzothiazole, 2-(4-chloro-2-butynylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-(4-chloro-2-butynylthio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-(4-chloro-2-butynylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.